25093465
  -OEChem-04262412302D

 50 53  0     0  0  0  0  0  0999 V2000
    3.6636   -3.7420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4432    2.3512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1753    2.3512    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4727   -5.1433    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4945   -5.3512    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1753   -2.6488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3092    0.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4432    0.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1753    0.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0413   -2.1488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1753    3.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3092    1.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5772   -4.1488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0413    3.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0413    4.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9073    3.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9945   -4.4852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9073    5.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7734    3.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7734    4.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.3807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9063   -2.3388    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7122   -3.9588    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9063   -0.9588    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7122   -0.9588    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3092   -4.7688    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9063    0.6612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7122    0.6612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3513   -2.6857    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5782   -1.8388    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7313   -1.6118    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9632    3.9338    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5647    3.2436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7122    2.0412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5044    5.1612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9073    2.7312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9073    5.9712    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3103    3.5412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3103    5.1612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0648   -3.7641    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834   -4.3159    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9352   -4.9973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 25  1  0  0  0  0
  2 20  2  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  3 42  1  0  0  0  0
  4  5  1  0  0  0  0
  4 21  2  0  0  0  0
  5 25  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
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  7 13  1  0  0  0  0
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 10 15  1  0  0  0  0
 10 21  1  0  0  0  0
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 19 40  1  0  0  0  0
 19 41  1  0  0  0  0
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 22 24  1  0  0  0  0
 23 26  1  0  0  0  0
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 25 29  1  0  0  0  0
 26 28  2  0  0  0  0
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 28 47  1  0  0  0  0
 29 48  1  0  0  0  0
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 29 50  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
25093465

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
528

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAAWAAAAAwYMAAAAAAAAAB1AAAHgAYAAAADADBmgQyAILABECqAiFyEACSAAAsAAAaiKE4DNgIJrKAtRmOMQhkzgGIqYeYyPCOwAACAAAQAACAAAQAACAAAAAAAAAAAA==

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

> <PUBCHEM_IUPAC_CAS_NAME>
4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(phenylmethyl)benzamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-benzyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide

> <PUBCHEM_IUPAC_NAME>
N-benzyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(phenylmethyl)benzamide

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H21N3O2/c1-16-8-9-21(24-27-26-17(2)29-24)14-22(16)19-10-12-20(13-11-19)23(28)25-15-18-6-4-3-5-7-18/h3-14H,15H2,1-2H3,(H,25,28)

> <PUBCHEM_IUPAC_INCHIKEY>
QPHJAKYGFBAGRJ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.6

> <PUBCHEM_EXACT_MASS>
383.16337692

> <PUBCHEM_MOLECULAR_FORMULA>
C24H21N3O2

> <PUBCHEM_MOLECULAR_WEIGHT>
383.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C(C=C(C=C1)C2=NN=C(O2)C)C3=CC=C(C=C3)C(=O)NCC4=CC=CC=C4

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C(C=C(C=C1)C2=NN=C(O2)C)C3=CC=C(C=C3)C(=O)NCC4=CC=CC=C4

> <PUBCHEM_CACTVS_TPSA>
68

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
383.16337692

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
29

> <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  21  8
1  25  8
10  15  8
11  15  8
12  16  8
13  17  8
14  16  8
14  17  8
22  23  8
22  24  8
23  26  8
24  27  8
26  28  8
27  28  8
4  21  8
4  5  8
5  25  8
6  8  8
6  9  8
7  12  8
7  13  8
8  11  8
9  10  8

$$$$