68986425
  -OEChem-05102418482D

 60 63  0     0  0  0  0  0  0999 V2000
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    6.1808   -5.1555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9898   -0.5677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7364    4.5329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9174    2.8104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3717   -0.5677    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4997    2.1059    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827   -3.6555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4782   -2.6610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691   -4.0623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -2.4531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.3191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -3.6555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -4.1555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -2.6555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -2.1555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468   -3.6555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468   -2.6555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -1.1555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6808    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468   -5.6555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0930    1.1923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6808    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3187    3.8284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9119    2.9149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7309    4.6374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3132    3.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1376    5.5510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7199    4.8465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1321    5.6555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1486    5.3419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1540    5.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1026   -3.3178    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0982   -2.6610    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5430   -2.0444    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1675   -4.4267    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9791   -4.5992    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6916   -1.8634    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9336   -2.2009    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4984   -2.9547    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5851   -3.7799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7778   -2.3455    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5837   -3.9655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5837   -2.3455    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5790    1.5390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6623    0.7463    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7368   -6.1925    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5837   -5.9655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3568   -5.1186    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0452    0.8849    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1163    2.1707    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6776    3.4314    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7732    6.0526    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3365    4.9113    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3843    6.2219    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7058    5.6137    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9777    5.9379    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0892    5.8540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5374    5.1726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2189    4.6208    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 13  1  0  0  0  0
  2 14  1  0  0  0  0
  2 21  1  0  0  0  0
  3 19  1  0  0  0  0
  3 23  1  0  0  0  0
  4 26  1  0  0  0  0
  4 31  1  0  0  0  0
  5 25  2  0  0  0  0
  6 19  2  0  0  0  0
  6 20  1  0  0  0  0
  7 22  1  0  0  0  0
  7 25  1  0  0  0  0
  7 51  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 33  1  0  0  0  0
  9 11  1  0  0  0  0
  9 34  1  0  0  0  0
  9 35  1  0  0  0  0
 10 12  1  0  0  0  0
 10 36  1  0  0  0  0
 10 37  1  0  0  0  0
 11 12  1  0  0  0  0
 11 38  1  0  0  0  0
 11 39  1  0  0  0  0
 12 40  1  0  0  0  0
 12 41  1  0  0  0  0
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 13 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
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 16 18  1  0  0  0  0
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 29 54  1  0  0  0  0
 30 55  1  0  0  0  0
 31 32  1  0  0  0  0
 31 56  1  0  0  0  0
 31 57  1  0  0  0  0
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 32 60  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
68986425

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
585

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
9

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OAAAAAAAAAAAAAAAAAAAAeIAAAAwYAAAAAAAAAAB0AAAHgAQAAAADBzhngYyhpLIFECoAy1y1ASCiCAvYiAIiKG/rNgPZr6EtTufOWrm5hGaqYf6/D7OIAABAAAIQABAAAIAABCAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[[2-[3-(cyclopentoxy)-4-methoxy-phenyl]oxazol-4-yl]methyl]-2-ethoxy-benzamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[[2-(3-cyclopentyloxy-4-methoxyphenyl)-4-oxazolyl]methyl]-2-ethoxybenzamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[[2-(3-cyclopentyloxy-4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-ethoxybenzamide

> <PUBCHEM_IUPAC_NAME>
N-[[2-(3-cyclopentyloxy-4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-ethoxybenzamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[[2-(3-cyclopentyloxy-4-methoxy-phenyl)-1,3-oxazol-4-yl]methyl]-2-ethoxy-benzamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[[2-[3-(cyclopentoxy)-4-methoxy-phenyl]oxazol-4-yl]methyl]-2-ethoxy-benzamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C25H28N2O5/c1-3-30-21-11-7-6-10-20(21)24(28)26-15-18-16-31-25(27-18)17-12-13-22(29-2)23(14-17)32-19-8-4-5-9-19/h6-7,10-14,16,19H,3-5,8-9,15H2,1-2H3,(H,26,28)

> <PUBCHEM_IUPAC_INCHIKEY>
OPVJGVILMRLGNU-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.4

> <PUBCHEM_EXACT_MASS>
436.19982200

> <PUBCHEM_MOLECULAR_FORMULA>
C25H28N2O5

> <PUBCHEM_MOLECULAR_WEIGHT>
436.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCOC1=CC=CC=C1C(=O)NCC2=COC(=N2)C3=CC(=C(C=C3)OC)OC4CCCC4

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCOC1=CC=CC=C1C(=O)NCC2=COC(=N2)C3=CC(=C(C=C3)OC)OC4CCCC4

> <PUBCHEM_CACTVS_TPSA>
82.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
436.19982200

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
32

> <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>
13  14  8
13  15  8
14  17  8
15  16  8
16  18  8
17  18  8
20  23  8
24  26  8
24  27  8
26  28  8
27  29  8
28  30  8
29  30  8
3  19  8
3  23  8
6  19  8
6  20  8

$$$$