24100
  -OEChem-04262418002D

 25 26  0     1  0  0  0  0  0999 V2000
    3.0000   -3.9571    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.9571    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -2.9571    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.8090    1.6307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    2.5817    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0878    3.3907    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    1.0429    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.0000    0.0429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1910    1.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340   -0.4571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -0.4571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -1.9571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    2.5817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340   -1.4571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -1.4571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -2.9571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5524    0.7614    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6246    1.8828    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8810    1.0937    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970   -0.1471    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030   -0.1471    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970   -1.7671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030   -1.7671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8356    3.9571    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7044    3.3259    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  2 16  1  0  0  0  0
  3 16  1  0  0  0  0
  4  7  1  0  0  0  0
  4 13  1  0  0  0  0
  5  9  1  0  0  0  0
  5 13  2  0  0  0  0
  6 13  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 17  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 14  1  0  0  0  0
 10 20  1  0  0  0  0
 11 15  2  0  0  0  0
 11 21  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 12 16  1  0  0  0  0
 14 22  1  0  0  0  0
 15 23  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
24100

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
282

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzIYAAAAAAAAAAAAAAAAAAAQAAAAAwAAAAAAAAAAABAAAAHwAQAAAADBThmBYxAIJABACgAiBCJAACAAEgAAAIiAAACIkKJiKAsRmJMAAkwAEIqAeQwPAOQAAAAAAAAACAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5-[4-(trifluoromethyl)phenyl]-4,5-dihydrooxazol-2-amine

> <PUBCHEM_IUPAC_CAS_NAME>
5-[4-(trifluoromethyl)phenyl]-4,5-dihydrooxazol-2-amine

> <PUBCHEM_IUPAC_NAME_MARKUP>
5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine

> <PUBCHEM_IUPAC_NAME>
5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[5-[4-(trifluoromethyl)phenyl]-2-oxazolin-2-yl]amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H9F3N2O/c11-10(12,13)7-3-1-6(2-4-7)8-5-15-9(14)16-8/h1-4,8H,5H2,(H2,14,15)

> <PUBCHEM_IUPAC_INCHIKEY>
NMGYDYBWRZHLHR-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.6

> <PUBCHEM_EXACT_MASS>
230.06669740

> <PUBCHEM_MOLECULAR_FORMULA>
C10H9F3N2O

> <PUBCHEM_MOLECULAR_WEIGHT>
230.19

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1C(OC(=N1)N)C2=CC=C(C=C2)C(F)(F)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1C(OC(=N1)N)C2=CC=C(C=C2)C(F)(F)F

> <PUBCHEM_CACTVS_TPSA>
47.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
230.06669740

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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  14  8
11  15  8
12  14  8
12  15  8
7  8  3
8  10  8
8  11  8

$$$$