49768485
  -OEChem-05112406182D

 35 38  0     0  0  0  0  0  0999 V2000
    4.7861    0.4170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8846    0.9115    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3010    0.1068    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7567    1.9115    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9771    1.8183    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3548    1.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3010    1.7163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3548    0.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4888    1.9115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6227    1.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8846    0.9115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4888   -0.0885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6227    0.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8907    1.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8080    0.2091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4013   -0.7044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3080    1.0751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9890   -1.5135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4067   -0.8090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5823   -2.4270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.7225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5878   -2.5315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8384    2.0255    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0500    2.2832    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4888    2.5315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4936   -0.4825    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4888   -0.7085    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0858    0.1015    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7567    2.5315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6914    1.1399    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6056   -1.4486    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0423   -0.3074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9467   -2.9286    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834   -1.7873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3356   -3.0979    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2 11  2  0  0  0  0
  3  8  1  0  0  0  0
  3 11  1  0  0  0  0
  3 26  1  0  0  0  0
  4 10  1  0  0  0  0
  4 14  1  0  0  0  0
  4 29  1  0  0  0  0
  5 14  2  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  7 11  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  2  0  0  0  0
  9 25  1  0  0  0  0
 10 13  1  0  0  0  0
 12 13  2  0  0  0  0
 12 27  1  0  0  0  0
 13 28  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 30  1  0  0  0  0
 18 20  1  0  0  0  0
 18 31  1  0  0  0  0
 19 21  2  0  0  0  0
 19 32  1  0  0  0  0
 20 22  2  0  0  0  0
 20 33  1  0  0  0  0
 21 22  1  0  0  0  0
 21 34  1  0  0  0  0
 22 35  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
49768485

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
411

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7MAAAAAAAAAAAAAAAAAAAAWLAAAAwYAAAAAAAAFgB0AAAHgAQAAAADAzBmgQ91JLIFECoArV3dASCiCk/QiAJ2AGrbMmOJjLAvbmNMQhs1gPY6aecyaCeAACAQAACAAAAAQCAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5-[(5-phenyloxazol-2-yl)amino]indolin-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
5-[(5-phenyl-2-oxazolyl)amino]-1,3-dihydroindol-2-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
5-[(5-phenyl-1,3-oxazol-2-yl)amino]-1,3-dihydroindol-2-one

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

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

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5-[(5-phenyloxazol-2-yl)amino]oxindole

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H13N3O2/c21-16-9-12-8-13(6-7-14(12)20-16)19-17-18-10-15(22-17)11-4-2-1-3-5-11/h1-8,10H,9H2,(H,18,19)(H,20,21)

> <PUBCHEM_IUPAC_INCHIKEY>
HSGMROPAAZIWLJ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.7

> <PUBCHEM_EXACT_MASS>
291.100776666

> <PUBCHEM_MOLECULAR_FORMULA>
C17H13N3O2

> <PUBCHEM_MOLECULAR_WEIGHT>
291.30

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1C2=C(C=CC(=C2)NC3=NC=C(O3)C4=CC=CC=C4)NC1=O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1C2=C(C=CC(=C2)NC3=NC=C(O3)C4=CC=CC=C4)NC1=O

> <PUBCHEM_CACTVS_TPSA>
67.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
291.100776666

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
22

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

$$$$