69466169
  -OEChem-05142403552D

 30 32  0     0  0  0  0  0  0999 V2000
    2.0000   -1.8512    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.8512    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.5116    1.2421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.1488    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7026    2.6433    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    1.9852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1753    1.8807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.1488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.6488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6808    2.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7631    2.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5820    0.9671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7576    2.5852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5765    0.8626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1643    1.6716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    1.4588    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9329    3.4176    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5109    3.2561    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2176    0.4655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.0412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.0412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.6612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1220    3.0867    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8287    0.2962    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7809    1.6068    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  2 19  1  0  0  0  0
  3  6  1  0  0  0  0
  3  9  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 21  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
  8 14  1  0  0  0  0
 10 22  1  0  0  0  0
 11 17  1  0  0  0  0
 11 23  1  0  0  0  0
 12 18  2  0  0  0  0
 12 24  1  0  0  0  0
 13 15  1  0  0  0  0
 13 25  1  0  0  0  0
 14 16  2  0  0  0  0
 14 26  1  0  0  0  0
 15 19  2  0  0  0  0
 16 19  1  0  0  0  0
 16 27  1  0  0  0  0
 17 20  2  0  0  0  0
 17 28  1  0  0  0  0
 18 20  1  0  0  0  0
 18 29  1  0  0  0  0
 20 30  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
69466169

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
312

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzIAAGAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAAAB0AAAHgIQAAAADA7BmiQ91JLIFECoArR3dASCiCk/RyAJ2kGrbsmOJjLBv7mNMQhs1gNY6aeYyKCOAABAAAIAAAQAAIAABAAACAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-(3,4-dichlorophenyl)-5-phenyl-oxazol-2-amine

> <PUBCHEM_IUPAC_CAS_NAME>
N-(3,4-dichlorophenyl)-5-phenyl-2-oxazolamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-(3,4-dichlorophenyl)-5-phenyl-1,3-oxazol-2-amine

> <PUBCHEM_IUPAC_NAME>
N-(3,4-dichlorophenyl)-5-phenyl-1,3-oxazol-2-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-(3,4-dichlorophenyl)-5-phenyl-1,3-oxazol-2-amine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(3,4-dichlorophenyl)-(5-phenyloxazol-2-yl)amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H10Cl2N2O/c16-12-7-6-11(8-13(12)17)19-15-18-9-14(20-15)10-4-2-1-3-5-10/h1-9H,(H,18,19)

> <PUBCHEM_IUPAC_INCHIKEY>
NJYPXNBGVWLJOA-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5.1

> <PUBCHEM_EXACT_MASS>
304.0170183

> <PUBCHEM_MOLECULAR_FORMULA>
C15H10Cl2N2O

> <PUBCHEM_MOLECULAR_WEIGHT>
305.2

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C=C1)C2=CN=C(O2)NC3=CC(=C(C=C3)Cl)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)C2=CN=C(O2)NC3=CC(=C(C=C3)Cl)Cl

> <PUBCHEM_CACTVS_TPSA>
38.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
304.0170183

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <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>
11  17  8
12  18  8
13  15  8
14  16  8
15  19  8
16  19  8
17  20  8
18  20  8
3  6  8
3  9  8
5  10  8
5  9  8
6  10  8
7  11  8
7  12  8
8  13  8
8  14  8

$$$$