7100780
  -OEChem-04252422522D

 30 32  0     0  0  0  0  0  0999 V2000
    4.0421   -0.8087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1646    1.9694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7634    0.9514    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6602   -0.8087    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3511    0.1424    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8511   -4.3965    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5823    2.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8511   -2.3965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8511   -1.3965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1701    1.8649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3511    0.1424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5878    2.5694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9890    3.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9851   -2.8965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7172   -2.8965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.3784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4013    4.3965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4067    4.2920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9851   -3.8965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7172   -3.8965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1468    0.8866    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3356    2.0030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6056    3.6523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4482   -2.5865    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2541   -2.5865    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834    3.3136    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6534    4.9629    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0423    4.7936    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4482   -4.2065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2541   -4.2065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 11  1  0  0  0  0
  2 10  2  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  3 21  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  2  0  0  0  0
  5 11  2  0  0  0  0
  6 19  2  0  0  0  0
  6 20  1  0  0  0  0
  7 10  1  0  0  0  0
  7 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8  9  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 19  1  0  0  0  0
 14 24  1  0  0  0  0
 15 20  2  0  0  0  0
 15 25  1  0  0  0  0
 16 18  2  0  0  0  0
 16 26  1  0  0  0  0
 17 18  1  0  0  0  0
 17 27  1  0  0  0  0
 18 28  1  0  0  0  0
 19 29  1  0  0  0  0
 20 30  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
7100780

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
327

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzsAAAAAAAAAAAAAAAAAAAAWAAAAA8QAAAAAAAAAAB8AAAHgAYAAAADADBmgQ9kJLIFECqAjF3dACSgCI9AiAf2CE4bNmIJvLAvZmMMQh0zSPI6Yc8iACOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[5-(4-pyridyl)-1,3,4-oxadiazol-2-yl]benzamide

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

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

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

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

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[5-(4-pyridyl)-1,3,4-oxadiazol-2-yl]benzamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H10N4O2/c19-12(10-4-2-1-3-5-10)16-14-18-17-13(20-14)11-6-8-15-9-7-11/h1-9H,(H,16,18,19)

> <PUBCHEM_IUPAC_INCHIKEY>
PWTMPPJXTISSCI-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.5

> <PUBCHEM_EXACT_MASS>
266.08037557

> <PUBCHEM_MOLECULAR_FORMULA>
C14H10N4O2

> <PUBCHEM_MOLECULAR_WEIGHT>
266.25

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C=C1)C(=O)NC2=NN=C(O2)C3=CC=NC=C3

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)C(=O)NC2=NN=C(O2)C3=CC=NC=C3

> <PUBCHEM_CACTVS_TPSA>
80.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
266.08037557

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <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  11  8
1  9  8
12  16  8
13  17  8
14  19  8
15  20  8
16  18  8
17  18  8
4  5  8
4  9  8
5  11  8
6  19  8
6  20  8
7  12  8
7  13  8
8  14  8
8  15  8

$$$$