912674
  -OEChem-04252401242D

 36 38  0     0  0  0  0  0  0999 V2000
    5.3511    0.1424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0421   -0.8087    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
    4.1701    1.8649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7634    0.9514    0.0000 C   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
    4.3511    0.1424    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
    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
    3.9851   -3.8965    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
    4.8511   -4.3965    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
    2.4067    4.2920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1191   -4.3965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6841    1.5182    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6008    2.3109    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2494    1.2981    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3327    0.5054    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
    4.8511   -5.0165    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
    2.0423    4.7936    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8091   -3.8596    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5822   -4.7065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4291   -4.9334    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  7  1  0  0  0  0
  2  7  2  0  0  0  0
  2  9  1  0  0  0  0
  3  9  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  5  7  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6 10  2  0  0  0  0
  6 11  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
  8 14  2  0  0  0  0
 10 15  1  0  0  0  0
 10 25  1  0  0  0  0
 11 16  2  0  0  0  0
 11 26  1  0  0  0  0
 12 13  2  0  0  0  0
 12 27  1  0  0  0  0
 13 17  1  0  0  0  0
 13 20  1  0  0  0  0
 14 18  1  0  0  0  0
 14 28  1  0  0  0  0
 15 19  2  0  0  0  0
 15 29  1  0  0  0  0
 16 19  1  0  0  0  0
 16 30  1  0  0  0  0
 17 18  2  0  0  0  0
 17 31  1  0  0  0  0
 18 32  1  0  0  0  0
 19 33  1  0  0  0  0
 20 34  1  0  0  0  0
 20 35  1  0  0  0  0
 20 36  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
912674

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
291

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7IAAAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAAAB0AAAHgAEAAAADACBmwAzEIYYEACpAiNyNgCCgAkgAKApiCEwBJiIKLKAmRGEIAhkhQKIiAeYyOCOAAACAAAAAAAAAAQAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-(m-tolyl)-5-(2-phenylethyl)-1,2,4-oxadiazole

> <PUBCHEM_IUPAC_CAS_NAME>
3-(3-methylphenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-(3-methylphenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole

> <PUBCHEM_IUPAC_NAME>
3-(3-methylphenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-(3-methylphenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-(m-tolyl)-5-phenethyl-1,2,4-oxadiazole

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H16N2O/c1-13-6-5-9-15(12-13)17-18-16(20-19-17)11-10-14-7-3-2-4-8-14/h2-9,12H,10-11H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
ZRRGWMZHAFEENQ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.4

> <PUBCHEM_EXACT_MASS>
264.126263138

> <PUBCHEM_MOLECULAR_FORMULA>
C17H16N2O

> <PUBCHEM_MOLECULAR_WEIGHT>
264.32

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC(=CC=C1)C2=NOC(=N2)CCC3=CC=CC=C3

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC(=CC=C1)C2=NOC(=N2)CCC3=CC=CC=C3

> <PUBCHEM_CACTVS_TPSA>
38.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
264.126263138

> <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  3  8
1  7  8
10  15  8
11  16  8
12  13  8
13  17  8
14  18  8
15  19  8
16  19  8
17  18  8
2  7  8
2  9  8
3  9  8
6  10  8
6  11  8
8  12  8
8  14  8

$$$$