52907922
  -OEChem-05132419142D

 32 33  0     0  0  0  0  0  0999 V2000
    2.3067    4.6920    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6270    5.1988    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.1338    3.8785    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8913   -0.1110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.5446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3503   -1.6988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4013    2.5626    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0823   -1.6988    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2733   -0.1110    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8135    3.3717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5823    0.8401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9945    1.6491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0823   -0.6988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2163   -3.1988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2202    4.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2163   -2.1988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5823    0.8401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3503   -3.6988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0823   -3.6988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3503   -4.6988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0823   -4.6988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2163   -5.1988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2995    3.7184    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3828    2.9257    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0179    2.6275    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6192   -2.0088    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9467    1.3417    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8133   -3.3888    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6192   -3.3888    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8133   -5.0088    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6192   -5.0088    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2163   -5.8188    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  2 15  1  0  0  0  0
  3 15  1  0  0  0  0
  4 13  1  0  0  0  0
  4 17  1  0  0  0  0
  5 12  2  0  0  0  0
  6 16  2  0  0  0  0
  7 10  1  0  0  0  0
  7 12  1  0  0  0  0
  7 25  1  0  0  0  0
  8 13  1  0  0  0  0
  8 16  1  0  0  0  0
  8 26  1  0  0  0  0
  9 11  1  0  0  0  0
  9 13  2  0  0  0  0
 10 15  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 12  1  0  0  0  0
 11 17  2  0  0  0  0
 14 16  1  0  0  0  0
 14 18  2  0  0  0  0
 14 19  1  0  0  0  0
 17 27  1  0  0  0  0
 18 20  1  0  0  0  0
 18 28  1  0  0  0  0
 19 21  2  0  0  0  0
 19 29  1  0  0  0  0
 20 22  2  0  0  0  0
 20 30  1  0  0  0  0
 21 22  1  0  0  0  0
 21 31  1  0  0  0  0
 22 32  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
52907922

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
411

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzMYAAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAAABwAAAHwAQAAAADAjhnhYxlJLIFECoAy1y9ASCiCkvYiAJiIGdJMmOYD6MnTGdIWhqpyKYiacYiACOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-benzamido-N-(2,2,2-trifluoroethyl)oxazole-4-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-benzamido-N-(2,2,2-trifluoroethyl)-4-oxazolecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-benzamido-<I>N</I>-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide

> <PUBCHEM_IUPAC_NAME>
2-benzamido-N-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-benzamido-N-[2,2,2-tris(fluoranyl)ethyl]-1,3-oxazole-4-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-benzamido-N-(2,2,2-trifluoroethyl)oxazole-4-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C13H10F3N3O3/c14-13(15,16)7-17-11(21)9-6-22-12(18-9)19-10(20)8-4-2-1-3-5-8/h1-6H,7H2,(H,17,21)(H,18,19,20)

> <PUBCHEM_IUPAC_INCHIKEY>
AVZYNSGAKNBVTJ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.2

> <PUBCHEM_EXACT_MASS>
313.06742568

> <PUBCHEM_MOLECULAR_FORMULA>
C13H10F3N3O3

> <PUBCHEM_MOLECULAR_WEIGHT>
313.23

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C=C1)C(=O)NC2=NC(=CO2)C(=O)NCC(F)(F)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)C(=O)NC2=NC(=CO2)C(=O)NCC(F)(F)F

> <PUBCHEM_CACTVS_TPSA>
84.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
313.06742568

> <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>
11  17  8
14  18  8
14  19  8
18  20  8
19  21  8
20  22  8
21  22  8
4  13  8
4  17  8
9  11  8
9  13  8

$$$$