838877
  -OEChem-04242421502D

 36 39  0     0  0  0  0  0  0999 V2000
    5.4791    1.5526    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8611    1.5526    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1701    2.5036    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5878    3.2081    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6701   -2.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6701   -0.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6701   -3.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5361   -1.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8041   -1.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5361   -0.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8041   -0.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6701    0.9648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5361   -3.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8041   -3.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1701    2.5036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5361   -4.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8041   -4.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5823    3.3126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6701   -5.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9890    4.2262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4013    5.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4067    4.9307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    4.0171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0730   -1.8452    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2671   -1.8452    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0730   -0.2252    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2671   -0.2252    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0730   -3.2252    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2671   -3.2252    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0730   -4.8452    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2671   -4.8452    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6701   -5.6552    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6056    4.2910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6534    5.6016    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0423    5.4323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834    3.9523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1 12  1  0  0  0  0
  2 12  2  0  0  0  0
  2 15  1  0  0  0  0
  3 15  2  0  0  0  0
  4 18  1  0  0  0  0
  4 23  2  0  0  0  0
  5  7  1  0  0  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  2  0  0  0  0
  7 14  1  0  0  0  0
  8 10  1  0  0  0  0
  8 24  1  0  0  0  0
  9 11  2  0  0  0  0
  9 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 27  1  0  0  0  0
 13 16  1  0  0  0  0
 13 28  1  0  0  0  0
 14 17  2  0  0  0  0
 14 29  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  2  0  0  0  0
 16 30  1  0  0  0  0
 17 19  1  0  0  0  0
 17 31  1  0  0  0  0
 18 20  2  0  0  0  0
 19 32  1  0  0  0  0
 20 21  1  0  0  0  0
 20 33  1  0  0  0  0
 21 22  2  0  0  0  0
 21 34  1  0  0  0  0
 22 23  1  0  0  0  0
 22 35  1  0  0  0  0
 23 36  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
838877

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
364

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7IAAAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAAAB9AAAHgAEAAAADAjBnwQ9kJYYEACpAzd3dgCCgCk1AqAp2CE4bNiIbvLAnZGUMQhkxQPIyYeYyPCOwAAAAAAAAACAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5-(4-phenylphenyl)-3-(2-pyridyl)-1,2,4-oxadiazole

> <PUBCHEM_IUPAC_CAS_NAME>
5-(4-phenylphenyl)-3-(2-pyridinyl)-1,2,4-oxadiazole

> <PUBCHEM_IUPAC_NAME_MARKUP>
5-(4-phenylphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole

> <PUBCHEM_IUPAC_NAME>
5-(4-phenylphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-(4-phenylphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5-(4-phenylphenyl)-3-(2-pyridyl)-1,2,4-oxadiazole

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H13N3O/c1-2-6-14(7-3-1)15-9-11-16(12-10-15)19-21-18(22-23-19)17-8-4-5-13-20-17/h1-13H

> <PUBCHEM_IUPAC_INCHIKEY>
QWGJENMOSGJVGI-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
3.7

> <PUBCHEM_EXACT_MASS>
299.105862047

> <PUBCHEM_MOLECULAR_FORMULA>
C19H13N3O

> <PUBCHEM_MOLECULAR_WEIGHT>
299.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC(=NO3)C4=CC=CC=N4

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC(=NO3)C4=CC=CC=N4

> <PUBCHEM_CACTVS_TPSA>
51.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
299.105862047

> <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  3  8
13  16  8
14  17  8
16  19  8
17  19  8
18  20  8
2  12  8
2  15  8
20  21  8
21  22  8
22  23  8
3  15  8
4  18  8
4  23  8
5  8  8
5  9  8
6  10  8
6  11  8
7  13  8
7  14  8
8  10  8
9  11  8

$$$$