49768418
  -OEChem-05062419052D

 36 39  0     0  0  0  0  0  0999 V2000
    5.6527    0.7938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9766   -0.9177    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4323    0.8870    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4617   -0.6075    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9766    0.6918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0303    0.3870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5602   -0.1130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0303   -0.6130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1643    0.8870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2983    0.3870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1643   -1.1130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2983   -0.6130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5662    0.3870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9836    0.0506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9890    0.1551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4836   -0.8154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5823    1.0687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4013   -0.6539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5878    1.1732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4067   -0.5493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5139    1.0010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7255    1.2587    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0210   -0.5277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0210    0.3018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1692   -1.5070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1643    1.5070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1643   -1.7330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7614   -0.9230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4323    1.5070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2314   -1.3818    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9467    1.5703    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6534   -1.2203    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3356    1.7396    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0423   -1.0509    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834    0.4290    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  7  1  0  0  0  0
  2  8  1  0  0  0  0
  2 26  1  0  0  0  0
  3 10  1  0  0  0  0
  3 13  1  0  0  0  0
  3 30  1  0  0  0  0
  4 13  2  0  0  0  0
  4 16  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
  9 27  1  0  0  0  0
 10 12  1  0  0  0  0
 11 12  2  0  0  0  0
 11 28  1  0  0  0  0
 12 29  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 31  1  0  0  0  0
 17 19  1  0  0  0  0
 17 32  1  0  0  0  0
 18 20  2  0  0  0  0
 18 33  1  0  0  0  0
 19 21  2  0  0  0  0
 19 34  1  0  0  0  0
 20 21  1  0  0  0  0
 20 35  1  0  0  0  0
 21 36  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
49768418

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
345

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7IAAAAAAAAAAAAAAAAAAAAWLAAAAwYAAAAAAAAFgB0AAAHgAQAAAADAzBmgQ91JLIFECoArR3dASCiCk/QiAJ2IGrbMmOJjLAvbmNMQhs1gPY6aeYyKCOAACAQAACAAAAAQCAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-indolin-5-yl-5-phenyl-oxazol-2-amine

> <PUBCHEM_IUPAC_CAS_NAME>
N-(2,3-dihydro-1H-indol-5-yl)-5-phenyl-2-oxazolamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-(2,3-dihydro-1<I>H</I>-indol-5-yl)-5-phenyl-1,3-oxazol-2-amine

> <PUBCHEM_IUPAC_NAME>
N-(2,3-dihydro-1H-indol-5-yl)-5-phenyl-1,3-oxazol-2-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-(2,3-dihydro-1H-indol-5-yl)-5-phenyl-1,3-oxazol-2-amine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
indolin-5-yl-(5-phenyloxazol-2-yl)amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H15N3O/c1-2-4-12(5-3-1)16-11-19-17(21-16)20-14-6-7-15-13(10-14)8-9-18-15/h1-7,10-11,18H,8-9H2,(H,19,20)

> <PUBCHEM_IUPAC_INCHIKEY>
WVMBDQHNQKECHI-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.9

> <PUBCHEM_EXACT_MASS>
277.121512110

> <PUBCHEM_MOLECULAR_FORMULA>
C17H15N3O

> <PUBCHEM_MOLECULAR_WEIGHT>
277.32

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CNC2=C1C=C(C=C2)NC3=NC=C(O3)C4=CC=CC=C4

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CNC2=C1C=C(C=C2)NC3=NC=C(O3)C4=CC=CC=C4

> <PUBCHEM_CACTVS_TPSA>
50.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
277.121512110

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <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
10  12  8
11  12  8
14  16  8
15  17  8
15  18  8
17  19  8
18  20  8
19  21  8
20  21  8
4  13  8
4  16  8
6  8  8
6  9  8
8  11  8
9  10  8

$$$$