46880465
  -OEChem-04272400392D

 31 33  0     0  0  0  0  0  0999 V2000
    6.8038    1.8450    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.8366    1.4280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.0665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.0665    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6456    0.0267    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2215    2.5494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8147    1.6359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.4335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    0.7699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2160    2.6540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6337    3.3585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.5665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.5665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6227    3.5675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0404    4.2720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.5665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.5665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.0665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0349    4.3765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    0.2435    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9313    0.7051    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0171    3.2936    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.2565    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.2565    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2393    3.6323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6760    4.7736    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.8765    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.8765    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2871    4.9429    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -4.3765    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  2  7  1  0  0  0  0
  2  9  1  0  0  0  0
  3 19  1  0  0  0  0
  3 31  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 21  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 10  2  0  0  0  0
  8 13  2  0  0  0  0
  8 14  1  0  0  0  0
 10 22  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  1  0  0  0  0
 12 23  1  0  0  0  0
 13 17  1  0  0  0  0
 13 24  1  0  0  0  0
 14 18  2  0  0  0  0
 14 25  1  0  0  0  0
 15 20  1  0  0  0  0
 15 26  1  0  0  0  0
 16 20  2  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
 20 30  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
46880465

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
310

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzMQAAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAAAB0AAAHwAQCAAADAzBmgw91pLIFkCoArR3dASCiCk/YiAJ2AGvbMmOJjLCvbuNcQhs1hNY+ae4yKCOAEAAAAAAAAAAgAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-[[5-(2-fluorophenyl)oxazol-2-yl]amino]phenol

> <PUBCHEM_IUPAC_CAS_NAME>
4-[[5-(2-fluorophenyl)-2-oxazolyl]amino]phenol

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]amino]phenol

> <PUBCHEM_IUPAC_NAME>
4-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]amino]phenol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]amino]phenol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-[[5-(2-fluorophenyl)oxazol-2-yl]amino]phenol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H11FN2O2/c16-13-4-2-1-3-12(13)14-9-17-15(20-14)18-10-5-7-11(19)8-6-10/h1-9,19H,(H,17,18)

> <PUBCHEM_IUPAC_INCHIKEY>
HKCQRPIMLBYSGH-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.6

> <PUBCHEM_EXACT_MASS>
270.08045576

> <PUBCHEM_MOLECULAR_FORMULA>
C15H11FN2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
270.26

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C(=C1)C2=CN=C(O2)NC3=CC=C(C=C3)O)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C(=C1)C2=CN=C(O2)NC3=CC=C(C=C3)O)F

> <PUBCHEM_CACTVS_TPSA>
58.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
270.08045576

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <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>
11  15  8
12  16  8
13  17  8
14  18  8
15  20  8
16  20  8
17  19  8
18  19  8
2  7  8
2  9  8
5  10  8
5  9  8
6  11  8
6  12  8
7  10  8
8  13  8
8  14  8

$$$$