52071994
  -OEChem-04242416382D

 66 70  0     0  0  0  0  0  0999 V2000
   14.2762   -3.5336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2762   -1.9156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1885   -3.5906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1496    0.2395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9136    3.5906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6885   -2.7246    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1885   -0.1265    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1007    1.5485    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6885   -2.7246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1885   -1.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1885   -1.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1885   -3.5906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1885   -1.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1885   -3.5906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6885   -0.9926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1885   -1.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6885   -2.7246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1885   -0.1265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6885   -0.9926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2273   -3.2246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2273   -2.2246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6885    0.7395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6885    0.7395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1007   -0.0695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1496    1.2395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4097   -1.0206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3406    1.8273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4271    1.4205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4451    2.8218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6180    2.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6361    3.4096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7226    3.0028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.1839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8085   -1.8586    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7711   -1.6465    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0808   -1.2480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0808   -4.2012    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7711   -3.8027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2961   -1.2480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6058   -1.6465    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6058   -3.8027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2961   -4.2012    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1634   -1.3911    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1634   -0.5940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6058   -2.0706    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2961   -2.4692    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7711    0.0855    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0808    0.4840    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2135   -0.5940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2135   -1.3911    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3562   -3.8311    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8439   -3.1598    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8439   -2.2894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3562   -1.6182    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2711    0.9515    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5808    1.3501    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8200   -1.2122    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6013   -1.6102    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9993   -0.8290    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3622    0.8039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0115    3.0740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0516    1.7562    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7009    4.0262    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7478    3.7503    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4336    2.9317    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2522    2.6175    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 20  1  0  0  0  0
  2  9  1  0  0  0  0
  2 21  1  0  0  0  0
  3 17  2  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  5 32  1  0  0  0  0
  5 33  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  6 17  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  7 22  1  0  0  0  0
  8 23  1  0  0  0  0
  8 25  2  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
 10 17  1  0  0  0  0
 10 34  1  0  0  0  0
 11 13  1  0  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 12 14  1  0  0  0  0
 12 37  1  0  0  0  0
 12 38  1  0  0  0  0
 13 39  1  0  0  0  0
 13 40  1  0  0  0  0
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 14 42  1  0  0  0  0
 15 18  1  0  0  0  0
 15 43  1  0  0  0  0
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 16 19  1  0  0  0  0
 16 45  1  0  0  0  0
 16 46  1  0  0  0  0
 18 47  1  0  0  0  0
 18 48  1  0  0  0  0
 19 49  1  0  0  0  0
 19 50  1  0  0  0  0
 20 21  1  0  0  0  0
 20 51  1  0  0  0  0
 20 52  1  0  0  0  0
 21 53  1  0  0  0  0
 21 54  1  0  0  0  0
 22 23  1  0  0  0  0
 22 55  1  0  0  0  0
 22 56  1  0  0  0  0
 23 24  2  0  0  0  0
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 25 27  1  0  0  0  0
 26 57  1  0  0  0  0
 26 58  1  0  0  0  0
 26 59  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 60  1  0  0  0  0
 29 31  2  0  0  0  0
 29 61  1  0  0  0  0
 30 32  2  0  0  0  0
 30 62  1  0  0  0  0
 31 32  1  0  0  0  0
 31 63  1  0  0  0  0
 33 64  1  0  0  0  0
 33 65  1  0  0  0  0
 33 66  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
52071994

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
646

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB7OAAAAAAAAAAAAAAAAAAAAWJAAAA8WIAAAAAAAAABwAAAHgAAAAAADQzhngYyjpMIFECoA6VyVASCiCAvYCAImCG/TNgfZrrEtTu/OSjmxhHeqYec/C7OIAAAAAAAAABAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-[[2-(4-methoxyphenyl)-5-methyl-oxazol-4-yl]methyl]-4-piperidyl]methanone

> <PUBCHEM_IUPAC_CAS_NAME>
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-[[2-(4-methoxyphenyl)-5-methyl-4-oxazolyl]methyl]-4-piperidinyl]methanone

> <PUBCHEM_IUPAC_NAME_MARKUP>
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-yl]methanone

> <PUBCHEM_IUPAC_NAME>
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-yl]methanone

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-yl]methanone

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-[[2-(4-methoxyphenyl)-5-methyl-oxazol-4-yl]methyl]-4-piperidyl]methanone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C25H33N3O5/c1-18-22(26-23(33-18)19-3-5-21(30-2)6-4-19)17-27-11-7-20(8-12-27)24(29)28-13-9-25(10-14-28)31-15-16-32-25/h3-6,20H,7-17H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
UHJXHYMBRLVGRU-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.1

> <PUBCHEM_EXACT_MASS>
455.24202116

> <PUBCHEM_MOLECULAR_FORMULA>
C25H33N3O5

> <PUBCHEM_MOLECULAR_WEIGHT>
455.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C(N=C(O1)C2=CC=C(C=C2)OC)CN3CCC(CC3)C(=O)N4CCC5(CC4)OCCO5

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C(N=C(O1)C2=CC=C(C=C2)OC)CN3CCC(CC3)C(=O)N4CCC5(CC4)OCCO5

> <PUBCHEM_CACTVS_TPSA>
77.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
455.24202116

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
33

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
23  24  8
27  28  8
27  29  8
28  30  8
29  31  8
30  32  8
31  32  8
4  24  8
4  25  8
8  23  8
8  25  8

$$$$