92196
  -OEChem-04242413222D

 25 26  0     1  0  0  0  0  0999 V2000
    2.8954    0.6307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2044    1.5817    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6166    2.3907    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7044    0.0429    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5134    0.6307    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7044   -0.9571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4645    0.3216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2044    1.5817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8384   -1.4571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5704   -1.4571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8384   -2.4571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5704   -2.4571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7044   -2.9571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2568   -0.2386    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9518    1.0691    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2729   -0.2680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0541    0.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6560    0.9113    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3014   -1.1471    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1074   -1.1471    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3014   -2.7671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1074   -2.7671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7044   -3.5771    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8688    2.9571    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.3259    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  8  1  0  0  0  0
  2  5  1  0  0  0  0
  2  8  2  0  0  0  0
  3  8  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 14  1  0  0  0  0
  5  7  1  0  0  0  0
  5 15  1  0  0  0  0
  6  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  9 11  1  0  0  0  0
  9 19  1  0  0  0  0
 10 12  2  0  0  0  0
 10 20  1  0  0  0  0
 11 13  2  0  0  0  0
 11 21  1  0  0  0  0
 12 13  1  0  0  0  0
 12 22  1  0  0  0  0
 13 23  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
92196

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
209

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzIAAAAAAAAAAAAAAAAAAAAQAAAAAwAAAAAAAAAAABAAAAHgAQAAAADDzhmAYzAIJABACgAiBCJAACAAEgAAAIiAAACIkKJiKAsRmJMAAkwAEIqAeQwKAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-methyl-5-phenyl-4,5-dihydrooxazol-2-amine

> <PUBCHEM_IUPAC_CAS_NAME>
4-methyl-5-phenyl-4,5-dihydrooxazol-2-amine

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-amine

> <PUBCHEM_IUPAC_NAME>
4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-amine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(4-methyl-5-phenyl-2-oxazolin-2-yl)amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H12N2O/c1-7-9(13-10(11)12-7)8-5-3-2-4-6-8/h2-7,9H,1H3,(H2,11,12)

> <PUBCHEM_IUPAC_INCHIKEY>
LJQBMYDFWFGESC-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.2

> <PUBCHEM_EXACT_MASS>
176.094963011

> <PUBCHEM_MOLECULAR_FORMULA>
C10H12N2O

> <PUBCHEM_MOLECULAR_WEIGHT>
176.21

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1C(OC(=N1)N)C2=CC=CC=C2

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1C(OC(=N1)N)C2=CC=CC=C2

> <PUBCHEM_CACTVS_TPSA>
47.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
176.094963011

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
13

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
2

> <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  12  8
11  13  8
12  13  8
4  6  3
5  7  3
6  10  8
6  9  8
9  11  8

$$$$