805087
  -OEChem-04192422252D

 31 33  0     0  0  0  0  0  0999 V2000
    3.8041   -4.7852    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.8611    1.3026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9380   -0.2852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6701   -0.2852    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1701    2.2536    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4791    1.3026    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5823    3.0626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8041   -1.7852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1701    2.2536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8041   -0.7852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6701    0.7148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9890    3.9762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5878    2.9581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9380   -2.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6701   -2.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4013    4.7852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.7671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9380   -3.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6701   -3.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4067    4.6807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8041   -3.7852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6056    4.0410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3356    2.3917    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2070   -0.5952    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4011   -1.9752    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2070   -1.9752    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6534    5.3516    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834    3.7023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4011   -3.5952    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2070   -3.5952    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0423    5.1823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  2  9  1  0  0  0  0
  2 11  1  0  0  0  0
  3 10  2  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  4 24  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  2  0  0  0  0
  6 11  2  0  0  0  0
  7  9  1  0  0  0  0
  7 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 10  1  0  0  0  0
  8 14  2  0  0  0  0
  8 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 22  1  0  0  0  0
 13 17  2  0  0  0  0
 13 23  1  0  0  0  0
 14 18  1  0  0  0  0
 14 25  1  0  0  0  0
 15 19  2  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 20  1  0  0  0  0
 17 28  1  0  0  0  0
 18 21  2  0  0  0  0
 18 29  1  0  0  0  0
 19 21  1  0  0  0  0
 19 30  1  0  0  0  0
 20 31  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
805087

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
355

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzMAAEAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAAAB0AAAHgIYAAAADAKBmiAxEILABECqAiFyMACSAAIsBQAfiCEgDtmIJrKBvxmMMQh0zSMIqYeYyCCOBAAAAAAAAAAIAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-chloro-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide

> <PUBCHEM_IUPAC_CAS_NAME>
4-chloro-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-chloro-<I>N</I>-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide

> <PUBCHEM_IUPAC_NAME>
4-chloro-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-chloranyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-chloro-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H10ClN3O2/c16-12-8-6-10(7-9-12)13(20)17-15-19-18-14(21-15)11-4-2-1-3-5-11/h1-9H,(H,17,19,20)

> <PUBCHEM_IUPAC_INCHIKEY>
YZLBFDGNVDNPIB-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.2

> <PUBCHEM_EXACT_MASS>
299.0461543

> <PUBCHEM_MOLECULAR_FORMULA>
C15H10ClN3O2

> <PUBCHEM_MOLECULAR_WEIGHT>
299.71

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C=C1)C2=NN=C(O2)NC(=O)C3=CC=C(C=C3)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)C2=NN=C(O2)NC(=O)C3=CC=C(C=C3)Cl

> <PUBCHEM_CACTVS_TPSA>
68

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
299.0461543

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <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>
12  16  8
13  17  8
14  18  8
15  19  8
16  20  8
17  20  8
18  21  8
19  21  8
2  11  8
2  9  8
5  6  8
5  9  8
6  11  8
7  12  8
7  13  8
8  14  8
8  15  8

$$$$