52907894
  -OEChem-05122416372D

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    2.0000   -2.9806    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    0.3558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5358    1.4309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.4806    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9535    2.1354    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5686    1.0139    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.9806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.9806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5468    1.2219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3548    3.1535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.9806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3776   -0.3873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9480    2.2399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3493    3.2580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7670    3.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7560    4.1716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1737    4.8760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1682    4.9806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -1.3980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -2.0882    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.7906    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.1706    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -4.7906    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -4.7906    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -5.6006    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5066   -0.9938    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5891    2.6370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7137    2.7564    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1504    3.8977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3726    4.2364    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8093    5.3776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4204    5.5470    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  2 16  1  0  0  0  0
  2 19  1  0  0  0  0
  3 12  2  0  0  0  0
  4 20  2  0  0  0  0
  5  8  1  0  0  0  0
  5 12  1  0  0  0  0
  5 28  1  0  0  0  0
  6 16  1  0  0  0  0
  6 20  1  0  0  0  0
  6 34  1  0  0  0  0
  7 13  1  0  0  0  0
  7 16  2  0  0  0  0
  8  9  1  0  0  0  0
  8 26  1  0  0  0  0
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  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 14  2  0  0  0  0
 11 15  1  0  0  0  0
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 17 21  2  0  0  0  0
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 18 32  1  0  0  0  0
 19 33  1  0  0  0  0
 21 23  1  0  0  0  0
 21 35  1  0  0  0  0
 22 24  2  0  0  0  0
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 23 25  2  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
52907894

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
471

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7MAAEAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAAAB0AAAHgIQAAAADArhniYxlJLIFECoAy1y9ASCiCkvZyAJiIGdJsmOYD6NnzGdIWhqpyKYiacYiACOAAAAAAABAAAAAAAAAAIAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-benzamido-N-[(2-chlorophenyl)methyl]oxazole-4-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-benzamido-N-[(2-chlorophenyl)methyl]-4-oxazolecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-benzamido-<I>N</I>-[(2-chlorophenyl)methyl]-1,3-oxazole-4-carboxamide

> <PUBCHEM_IUPAC_NAME>
2-benzamido-N-[(2-chlorophenyl)methyl]-1,3-oxazole-4-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-benzamido-N-[(2-chlorophenyl)methyl]-1,3-oxazole-4-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-benzamido-N-(2-chlorobenzyl)oxazole-4-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H14ClN3O3/c19-14-9-5-4-8-13(14)10-20-17(24)15-11-25-18(21-15)22-16(23)12-6-2-1-3-7-12/h1-9,11H,10H2,(H,20,24)(H,21,22,23)

> <PUBCHEM_IUPAC_INCHIKEY>
HFVYHFZMPSMCOF-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.2

> <PUBCHEM_EXACT_MASS>
355.0723690

> <PUBCHEM_MOLECULAR_FORMULA>
C18H14ClN3O3

> <PUBCHEM_MOLECULAR_WEIGHT>
355.8

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C=C1)C(=O)NC2=NC(=CO2)C(=O)NCC3=CC=CC=C3Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)C(=O)NC2=NC(=CO2)C(=O)NCC3=CC=CC=C3Cl

> <PUBCHEM_CACTVS_TPSA>
84.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
355.0723690

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
25

> <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>
10  14  8
11  15  8
13  19  8
14  18  8
15  18  8
17  21  8
17  22  8
2  16  8
2  19  8
21  23  8
22  24  8
23  25  8
24  25  8
7  13  8
7  16  8
9  10  8
9  11  8

$$$$