19752
  -OEChem-04192413032D

 22 23  0     1  0  0  0  0  0999 V2000
    3.7044   -3.4571    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8954    1.1307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2044    2.0817    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6166    2.8907    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7044    0.5429    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5134    1.1307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7044   -0.4571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8384   -0.9571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5704   -0.9571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2044    2.0817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8384   -1.9571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5704   -1.9571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7044   -2.4571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2568    0.2614    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8234    0.5937    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0798    1.3828    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3014   -0.6471    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1074   -0.6471    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3014   -2.2671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1074   -2.2671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8688    3.4571    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.8259    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  2  5  1  0  0  0  0
  2 10  1  0  0  0  0
  3  6  1  0  0  0  0
  3 10  2  0  0  0  0
  4 10  1  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 14  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
  8 17  1  0  0  0  0
  9 12  2  0  0  0  0
  9 18  1  0  0  0  0
 11 13  2  0  0  0  0
 11 19  1  0  0  0  0
 12 13  1  0  0  0  0
 12 20  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
19752

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
212

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzIAAEAAAAAAAAAAAAAAAAAQAAAAAwAAAAAAAAAAABAAAAHgIQAAAADBbhmCYxAIJABACgAiBCJAACAAEgBQAIiAAACokKJiKBsxmJMAAkwAEIqAeQwKAOBAAAAAAAAAAIAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5-(4-chlorophenyl)-4,5-dihydrooxazol-2-amine

> <PUBCHEM_IUPAC_CAS_NAME>
5-(4-chlorophenyl)-4,5-dihydrooxazol-2-amine

> <PUBCHEM_IUPAC_NAME_MARKUP>
5-(4-chlorophenyl)-4,5-dihydro-1,3-oxazol-2-amine

> <PUBCHEM_IUPAC_NAME>
5-(4-chlorophenyl)-4,5-dihydro-1,3-oxazol-2-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-(4-chlorophenyl)-4,5-dihydro-1,3-oxazol-2-amine

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C9H9ClN2O/c10-7-3-1-6(2-4-7)8-5-12-9(11)13-8/h1-4,8H,5H2,(H2,11,12)

> <PUBCHEM_IUPAC_INCHIKEY>
HAHOPPGVHWVBRR-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.4

> <PUBCHEM_EXACT_MASS>
196.0403406

> <PUBCHEM_MOLECULAR_FORMULA>
C9H9ClN2O

> <PUBCHEM_MOLECULAR_WEIGHT>
196.63

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

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

> <PUBCHEM_CACTVS_TPSA>
47.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
196.0403406

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
13

> <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>
11  13  8
12  13  8
5  7  3
7  8  8
7  9  8
8  11  8
9  12  8

$$$$