52907899
  -OEChem-04262400062D

 36 38  0     0  0  0  0  0  0999 V2000
    2.0000   -4.6465    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -5.6465    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981    1.3924    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.6465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2846    3.2194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.6465    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6859    2.2014    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4071    0.4413    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.6465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.1465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8669    3.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.1465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981    1.3924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.1465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.1465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2791    3.1149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7891    0.4413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.1465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.1465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8614    3.8194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4602    4.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.6465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4492    4.6284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0480    5.6465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0425    5.5420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -1.3365    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.8365    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.8365    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3025    2.1366    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1994    0.2497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -4.4565    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1136    3.2530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8436    4.9023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0658    4.5636    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7958    6.2129    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4069    6.0436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  2 22  1  0  0  0  0
  3 13  1  0  0  0  0
  3 17  1  0  0  0  0
  4 12  2  0  0  0  0
  5 16  2  0  0  0  0
  6  9  1  0  0  0  0
  6 12  1  0  0  0  0
  6 26  1  0  0  0  0
  7 13  1  0  0  0  0
  7 16  1  0  0  0  0
  7 29  1  0  0  0  0
  8 10  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  2  0  0  0  0
  9 15  1  0  0  0  0
 10 12  1  0  0  0  0
 10 17  2  0  0  0  0
 11 16  1  0  0  0  0
 11 20  2  0  0  0  0
 11 21  1  0  0  0  0
 14 18  1  0  0  0  0
 14 27  1  0  0  0  0
 15 19  2  0  0  0  0
 15 28  1  0  0  0  0
 17 30  1  0  0  0  0
 18 22  2  0  0  0  0
 19 22  1  0  0  0  0
 19 31  1  0  0  0  0
 20 23  1  0  0  0  0
 20 32  1  0  0  0  0
 21 24  2  0  0  0  0
 21 33  1  0  0  0  0
 23 25  2  0  0  0  0
 23 34  1  0  0  0  0
 24 25  1  0  0  0  0
 24 35  1  0  0  0  0
 25 36  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
52907899

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
488

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7MYAAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAAAB0AAAHwAQAAAADAihngox1JLIFECoAy1y9ASCiCkvYiAJiAGVZMmOYD7MnbGdIWhqtSLYyacYiACOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-benzamido-N-(3,4-difluorophenyl)oxazole-4-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-benzamido-N-(3,4-difluorophenyl)-4-oxazolecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-benzamido-<I>N</I>-(3,4-difluorophenyl)-1,3-oxazole-4-carboxamide

> <PUBCHEM_IUPAC_NAME>
2-benzamido-N-(3,4-difluorophenyl)-1,3-oxazole-4-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-benzamido-N-[3,4-bis(fluoranyl)phenyl]-1,3-oxazole-4-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-benzamido-N-(3,4-difluorophenyl)oxazole-4-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H11F2N3O3/c18-12-7-6-11(8-13(12)19)20-16(24)14-9-25-17(21-14)22-15(23)10-4-2-1-3-5-10/h1-9H,(H,20,24)(H,21,22,23)

> <PUBCHEM_IUPAC_INCHIKEY>
SMYPEUOANHSNGE-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.9

> <PUBCHEM_EXACT_MASS>
343.07684755

> <PUBCHEM_MOLECULAR_FORMULA>
C17H11F2N3O3

> <PUBCHEM_MOLECULAR_WEIGHT>
343.28

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C=C1)C(=O)NC2=NC(=CO2)C(=O)NC3=CC(=C(C=C3)F)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)C(=O)NC2=NC(=CO2)C(=O)NC3=CC(=C(C=C3)F)F

> <PUBCHEM_CACTVS_TPSA>
84.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
343.07684755

> <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  17  8
11  20  8
11  21  8
14  18  8
15  19  8
18  22  8
19  22  8
20  23  8
21  24  8
23  25  8
24  25  8
3  13  8
3  17  8
8  10  8
8  13  8
9  14  8
9  15  8

$$$$