49768402
  -OEChem-04262401232D

 35 38  0     0  0  0  0  0  0999 V2000
    5.6527    0.9240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6944   -1.0068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4323    1.0173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9243   -1.0174    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9243    1.0520    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4617   -0.4772    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2983    0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0303   -0.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0303    0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1643    1.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2983   -0.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1643   -0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5662    0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9836    0.1809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9890    0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4836   -0.6851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8304   -0.5035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4013   -0.5236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5823    1.1990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8304    0.5381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4067   -0.4191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5878    1.3035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.4945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1643    1.6373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7614   -0.7927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1643   -1.6027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4323    1.6373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9171   -1.6373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2314   -1.2515    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6534   -1.0900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9467    1.7006    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3661    0.8502    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0423   -0.9206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3356    1.8699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834    0.5593    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2 17  2  0  0  0  0
  3  7  1  0  0  0  0
  3 13  1  0  0  0  0
  3 27  1  0  0  0  0
  4  8  1  0  0  0  0
  4 17  1  0  0  0  0
  4 28  1  0  0  0  0
  5  9  1  0  0  0  0
  5 20  2  0  0  0  0
  6 13  2  0  0  0  0
  6 16  1  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8  9  2  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
 10 24  1  0  0  0  0
 11 12  2  0  0  0  0
 11 25  1  0  0  0  0
 12 26  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 29  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 18 30  1  0  0  0  0
 19 22  2  0  0  0  0
 19 31  1  0  0  0  0
 20 32  1  0  0  0  0
 21 23  2  0  0  0  0
 21 33  1  0  0  0  0
 22 23  1  0  0  0  0
 22 34  1  0  0  0  0
 23 35  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
49768402

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
464

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7sAAAAAAAAAAAAAAAAAAAAWAAAAAwYIAAAAAAAACB0AAAHgAQAAAADAzBmgQ91JLIFECoArV3dASCiCk/QiAJ2AGrfMmOZjLA/fmdMQhs1gPY6aeYyKCOAACAAAQAACAAAQAACAAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
6-[(5-phenyloxazol-2-yl)amino]-1H-quinoxalin-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
6-[(5-phenyl-2-oxazolyl)amino]-1H-quinoxalin-2-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
6-[(5-phenyl-1,3-oxazol-2-yl)amino]-1<I>H</I>-quinoxalin-2-one

> <PUBCHEM_IUPAC_NAME>
6-[(5-phenyl-1,3-oxazol-2-yl)amino]-1H-quinoxalin-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
6-[(5-phenyl-1,3-oxazol-2-yl)amino]-1H-quinoxalin-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
6-[(5-phenyloxazol-2-yl)amino]-1H-quinoxalin-2-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H12N4O2/c22-16-10-18-14-8-12(6-7-13(14)21-16)20-17-19-9-15(23-17)11-4-2-1-3-5-11/h1-10H,(H,19,20)(H,21,22)

> <PUBCHEM_IUPAC_INCHIKEY>
XGUDYVFJTVCBMH-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.7

> <PUBCHEM_EXACT_MASS>
304.09602564

> <PUBCHEM_MOLECULAR_FORMULA>
C17H12N4O2

> <PUBCHEM_MOLECULAR_WEIGHT>
304.30

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C=C1)C2=CN=C(O2)NC3=CC4=C(C=C3)NC(=O)C=N4

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)C2=CN=C(O2)NC3=CC4=C(C=C3)NC(=O)C=N4

> <PUBCHEM_CACTVS_TPSA>
79.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
304.09602564

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
23

> <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  13  8
1  14  8
11  12  8
14  16  8
15  18  8
15  19  8
17  20  8
18  21  8
19  22  8
21  23  8
22  23  8
4  17  8
4  8  8
5  20  8
5  9  8
6  13  8
6  16  8
7  10  8
7  11  8
8  12  8
8  9  8
9  10  8

$$$$