5329849
  -OEChem-05112406462D

 33 35  0     0  0  0  0  0  0999 V2000
    4.7026    0.7730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.7215    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5116   -0.6283    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.7215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6808    0.9809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.2215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0875    1.8944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.2215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.2215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.2215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.7215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.2215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    0.1149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0820    1.9990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4997    2.7035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.7215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4888    2.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9064    3.6170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9010    3.7215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.9115    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -0.4115    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.9115    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.3415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.5315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7974    0.0501    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4464    1.4974    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8831    2.6386    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -3.1846    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -4.0315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -4.2585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1054    2.9773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5420    4.1186    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1531    4.2879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  9  1  0  0  0  0
  2  4  1  0  0  0  0
  2  9  1  0  0  0  0
  2 21  1  0  0  0  0
  3  9  2  0  0  0  0
  3 13  1  0  0  0  0
  4  8  1  0  0  0  0
  4 10  2  0  0  0  0
  5  7  1  0  0  0  0
  5 13  2  0  0  0  0
  6  8  2  0  0  0  0
  6 11  1  0  0  0  0
  6 16  1  0  0  0  0
  7 14  2  0  0  0  0
  7 15  1  0  0  0  0
  8 20  1  0  0  0  0
 10 12  1  0  0  0  0
 10 22  1  0  0  0  0
 11 12  2  0  0  0  0
 11 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 14 17  1  0  0  0  0
 14 26  1  0  0  0  0
 15 18  2  0  0  0  0
 15 27  1  0  0  0  0
 16 28  1  0  0  0  0
 16 29  1  0  0  0  0
 16 30  1  0  0  0  0
 17 19  2  0  0  0  0
 17 31  1  0  0  0  0
 18 19  1  0  0  0  0
 18 32  1  0  0  0  0
 19 33  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
5329849

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
278

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7IAAAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAAAB0AAAHgAQAAAADAzBmgQ/1JLIFECoArR3dASCiCk/QiAJ2AGrbMmOJjLAvbmNMQhs1gNY6aeYyKCOAAAAQAAAAAAAAACAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-(m-tolyl)-5-phenyl-oxazol-2-amine

> <PUBCHEM_IUPAC_CAS_NAME>
N-(3-methylphenyl)-5-phenyl-2-oxazolamine

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

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

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

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
m-tolyl-(5-phenyloxazol-2-yl)amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H14N2O/c1-12-6-5-9-14(10-12)18-16-17-11-15(19-16)13-7-3-2-4-8-13/h2-11H,1H3,(H,17,18)

> <PUBCHEM_IUPAC_INCHIKEY>
XLGKHWGSIZWZNN-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.2

> <PUBCHEM_EXACT_MASS>
250.110613074

> <PUBCHEM_MOLECULAR_FORMULA>
C16H14N2O

> <PUBCHEM_MOLECULAR_WEIGHT>
250.29

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC(=CC=C1)NC2=NC=C(O2)C3=CC=CC=C3

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC(=CC=C1)NC2=NC=C(O2)C3=CC=CC=C3

> <PUBCHEM_CACTVS_TPSA>
38.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
250.110613074

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <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>
1  5  8
1  9  8
10  12  8
11  12  8
14  17  8
15  18  8
17  19  8
18  19  8
3  13  8
3  9  8
4  10  8
4  8  8
5  13  8
6  11  8
6  8  8
7  14  8
7  15  8

$$$$