702070
  -OEChem-04242413052D

 36 39  0     0  0  0  0  0  0999 V2000
    7.2392    0.3313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1701    1.0036    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8611    0.0526    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7392   -1.2075    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7392   -1.2075    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9993    0.0526    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6701   -0.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4791    0.0526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1701    1.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6701   -1.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5823    1.8126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -0.2564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5361   -2.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8041   -2.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9890    2.7262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5878    1.7081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5361   -3.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8041   -3.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4013    3.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.5171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6701   -3.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4067    3.4307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0482   -0.2564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5345    1.5052    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0730   -1.7252    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2671   -1.7252    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6056    2.7910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3356    1.1417    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0730   -3.3452    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2671   -3.3452    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6534    4.1016    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834    2.4523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6701   -4.1552    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0423    3.9323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4600   -0.3623    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1282    0.6590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 23  1  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  2 11  1  0  0  0  0
  3  7  2  0  0  0  0
  4  5  1  0  0  0  0
  4 12  2  0  0  0  0
  5 23  2  0  0  0  0
  6 23  1  0  0  0  0
  6 35  1  0  0  0  0
  6 36  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
  8 12  1  0  0  0  0
  9 24  1  0  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  2  0  0  0  0
 11 16  1  0  0  0  0
 13 17  1  0  0  0  0
 13 25  1  0  0  0  0
 14 18  2  0  0  0  0
 14 26  1  0  0  0  0
 15 19  1  0  0  0  0
 15 27  1  0  0  0  0
 16 20  2  0  0  0  0
 16 28  1  0  0  0  0
 17 21  2  0  0  0  0
 17 29  1  0  0  0  0
 18 21  1  0  0  0  0
 18 30  1  0  0  0  0
 19 22  2  0  0  0  0
 19 31  1  0  0  0  0
 20 22  1  0  0  0  0
 20 32  1  0  0  0  0
 21 33  1  0  0  0  0
 22 34  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
702070

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
383

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7oAAAAAAAAAAAAAAAAAAAAWLAAAAwYAAAAAAAAAAB9AAAHgAYAAAADAjBngQ90JJIBECqAzV3dACSBCI9ggAemCEobNkIJvrA8dmMtYh2iADI6ceYyOCOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5-(1,3-diphenylpyrazol-4-yl)-1,3,4-oxadiazol-2-amine

> <PUBCHEM_IUPAC_CAS_NAME>
5-(1,3-diphenyl-4-pyrazolyl)-1,3,4-oxadiazol-2-amine

> <PUBCHEM_IUPAC_NAME_MARKUP>
5-(1,3-diphenylpyrazol-4-yl)-1,3,4-oxadiazol-2-amine

> <PUBCHEM_IUPAC_NAME>
5-(1,3-diphenylpyrazol-4-yl)-1,3,4-oxadiazol-2-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-(1,3-diphenylpyrazol-4-yl)-1,3,4-oxadiazol-2-amine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[5-(1,3-diphenylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H13N5O/c18-17-20-19-16(23-17)14-11-22(13-9-5-2-6-10-13)21-15(14)12-7-3-1-4-8-12/h1-11H,(H2,18,20)

> <PUBCHEM_IUPAC_INCHIKEY>
GVQVMCQVJXPXOI-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.7

> <PUBCHEM_EXACT_MASS>
303.11201006

> <PUBCHEM_MOLECULAR_FORMULA>
C17H13N5O

> <PUBCHEM_MOLECULAR_WEIGHT>
303.32

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C=C1)C2=NN(C=C2C3=NN=C(O3)N)C4=CC=CC=C4

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)C2=NN(C=C2C3=NN=C(O3)N)C4=CC=CC=C4

> <PUBCHEM_CACTVS_TPSA>
82.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
303.11201006

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
23

> <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>
1  12  8
1  23  8
10  13  8
10  14  8
11  15  8
11  16  8
13  17  8
14  18  8
15  19  8
16  20  8
17  21  8
18  21  8
19  22  8
2  3  8
2  9  8
20  22  8
3  7  8
4  12  8
4  5  8
5  23  8
7  8  8
8  9  8

$$$$