16192072
  -OEChem-04192404002D

 62 64  0     1  0  0  0  0  0999 V2000
   16.6591    0.2249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3289    1.7249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8173    0.6317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1950    0.2249    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6263   -0.7696    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6482   -0.9775    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7930    0.7249    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   15.7930    1.7249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6591    2.2249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9270    0.2249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5251    1.7249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5251    0.7249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0610    0.7249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3289    0.7249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1950   -0.7751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4629    0.2249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5969    0.7249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5659   -0.8160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5714   -0.7114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1537   -0.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9836   -1.5204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7309    0.2249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1482   -0.1115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9890   -1.4159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4013   -2.2249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5823   -0.5024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4067   -2.1204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5878   -0.3978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7930    0.1049    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5810    2.3076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1825    1.6173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0576    2.6999    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.2605    2.6999    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5285   -0.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3255   -0.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.1357    1.6173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.7371    2.3076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.7371    0.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.1357    0.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4595    1.1999    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6625    1.1999    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5750   -0.7751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1950   -1.3951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8150   -0.7751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0644   -0.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8614   -0.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9954    1.1999    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1984    1.1999    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3950   -1.4119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1231   -1.0878    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7422   -0.1154    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0141   -0.4396    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3246    0.5890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5964    0.2648    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8127   -2.1164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5408   -1.7922    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6534   -2.7913    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9467   -0.0008    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0423   -2.6220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3356    0.1686    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834   -1.1421    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 12  1  0  0  0  0
  2 14  2  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5  6  1  0  0  0  0
  5 22  2  0  0  0  0
  6 23  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 30  1  0  0  0  0
  8  9  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9 11  1  0  0  0  0
  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10 13  1  0  0  0  0
 10 35  1  0  0  0  0
 10 36  1  0  0  0  0
 11 12  1  0  0  0  0
 11 37  1  0  0  0  0
 11 38  1  0  0  0  0
 12 39  1  0  0  0  0
 12 40  1  0  0  0  0
 13 41  1  0  0  0  0
 13 42  1  0  0  0  0
 14 16  1  0  0  0  0
 15 43  1  0  0  0  0
 15 44  1  0  0  0  0
 15 45  1  0  0  0  0
 16 17  1  0  0  0  0
 16 46  1  0  0  0  0
 16 47  1  0  0  0  0
 17 22  1  0  0  0  0
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 18 19  1  0  0  0  0
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 19 21  1  0  0  0  0
 19 52  1  0  0  0  0
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 20 23  1  0  0  0  0
 20 54  1  0  0  0  0
 20 55  1  0  0  0  0
 21 24  1  0  0  0  0
 21 56  1  0  0  0  0
 21 57  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 58  1  0  0  0  0
 26 28  2  0  0  0  0
 26 59  1  0  0  0  0
 27 29  2  0  0  0  0
 27 60  1  0  0  0  0
 28 29  1  0  0  0  0
 28 61  1  0  0  0  0
 29 62  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
16192072

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
470

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
11

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB7MAAAAAAAAAAAAAAAAAAAAWAAAAA0QAAAAAAAAAABwAAAHgAIAAAADBThmgYyAIMABECqAiFyEAASAAAoAAAaiAE4AIgIIDKAkRCOIAAmjgCIiAe/yOCOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-methyl-3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]-N-(2-tetrahydropyran-2-ylethyl)propanamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-methyl-N-[2-(2-oxanyl)ethyl]-3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]propanamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-methyl-<I>N</I>-[2-(oxan-2-yl)ethyl]-3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]propanamide

> <PUBCHEM_IUPAC_NAME>
N-methyl-N-[2-(oxan-2-yl)ethyl]-3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]propanamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-methyl-N-[2-(oxan-2-yl)ethyl]-3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]propanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-methyl-3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]-N-(2-tetrahydropyran-2-ylethyl)propionamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C23H33N3O3/c1-26(17-16-20-12-7-8-18-28-20)23(27)15-14-22-25-24-21(29-22)13-6-5-11-19-9-3-2-4-10-19/h2-4,9-10,20H,5-8,11-18H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
PIBTVILFZPGVNC-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.7

> <PUBCHEM_EXACT_MASS>
399.25219192

> <PUBCHEM_MOLECULAR_FORMULA>
C23H33N3O3

> <PUBCHEM_MOLECULAR_WEIGHT>
399.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN(CCC1CCCCO1)C(=O)CCC2=NN=C(O2)CCCCC3=CC=CC=C3

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN(CCC1CCCCO1)C(=O)CCC2=NN=C(O2)CCCCC3=CC=CC=C3

> <PUBCHEM_CACTVS_TPSA>
68.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
399.25219192

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
29

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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>
24  25  8
24  26  8
25  27  8
26  28  8
27  29  8
28  29  8
3  22  8
3  23  8
5  22  8
5  6  8
6  23  8
7  10  3

$$$$