58819940
  -OEChem-05082408102D

 30 32  0     0  0  0  0  0  0999 V2000
    2.0000   -4.0442    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.9230   -0.4565    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6443    1.3036    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    0.4946    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.0442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320    0.4946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0510    2.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.5442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.5442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5411   -0.4565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0455    2.3217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4632    3.0262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.5442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.5442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.0442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4523    3.2352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8699    3.9397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8645    4.0442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0277    1.2388    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.2342    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.2342    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1307   -0.6481    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4100    1.8201    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8466    2.9614    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.8542    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.6642    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0689    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5055    4.4413    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1166    4.6106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 20  1  0  0  0  0
  4  7  2  0  0  0  0
  4 11  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  8 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 21  1  0  0  0  0
 10 15  2  0  0  0  0
 10 22  1  0  0  0  0
 11 23  1  0  0  0  0
 12 17  1  0  0  0  0
 12 24  1  0  0  0  0
 13 18  2  0  0  0  0
 13 25  1  0  0  0  0
 14 16  2  0  0  0  0
 15 16  1  0  0  0  0
 15 26  1  0  0  0  0
 16 27  1  0  0  0  0
 17 19  2  0  0  0  0
 17 28  1  0  0  0  0
 18 19  1  0  0  0  0
 18 29  1  0  0  0  0
 19 30  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
58819940

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
283

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzIAAAEAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAAAB0AAAHgBQAAABrAzBmgQ91JLIFECoArR3dASCiCk/QiQJ2AGrbOmOJjLAvbmNMQhs1gNY67eYyKCOAAAAEAAAAAAAAAAgAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5-(3-bromophenyl)-N-phenyl-oxazol-2-amine

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

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

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

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

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[5-(3-bromophenyl)oxazol-2-yl]-phenyl-amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H11BrN2O/c16-12-6-4-5-11(9-12)14-10-17-15(19-14)18-13-7-2-1-3-8-13/h1-10H,(H,17,18)

> <PUBCHEM_IUPAC_INCHIKEY>
LPFJLQWYUANFAE-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.6

> <PUBCHEM_EXACT_MASS>
314.00548

> <PUBCHEM_MOLECULAR_FORMULA>
C15H11BrN2O

> <PUBCHEM_MOLECULAR_WEIGHT>
315.16

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

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

> <PUBCHEM_CACTVS_TPSA>
38.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
314.00548

> <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>
10  15  8
12  17  8
13  18  8
14  16  8
15  16  8
17  19  8
18  19  8
2  6  8
2  7  8
4  11  8
4  7  8
5  10  8
5  9  8
6  11  8
8  12  8
8  13  8
9  14  8

$$$$