60327843
  -OEChem-05032422522D

 30 31  0     0  0  0  0  0  0999 V2000
    2.8660   -4.8965    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6750   -0.3087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1294    3.0694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5471    2.3649    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    0.6424    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0570   -0.3087    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9538    1.4514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660    0.6424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.8965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.8965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7281    4.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1349    3.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.3965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.3965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3159    4.8965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.3965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.3965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.8965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3845    1.0054    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4678    1.7981    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9305    2.4297    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2974    4.5335    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2141    3.7408    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.0865    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.0865    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8175    4.5321    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6803    5.3981    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8143    5.2609    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.7065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.7065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  2  8  1  0  0  0  0
  2 10  1  0  0  0  0
  3 12  2  0  0  0  0
  4  7  1  0  0  0  0
  4 12  1  0  0  0  0
  4 21  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  2  0  0  0  0
  6 10  2  0  0  0  0
  7  8  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  2  0  0  0  0
  9 14  1  0  0  0  0
 11 12  1  0  0  0  0
 11 15  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
 13 16  1  0  0  0  0
 13 24  1  0  0  0  0
 14 17  2  0  0  0  0
 14 25  1  0  0  0  0
 15 26  1  0  0  0  0
 15 27  1  0  0  0  0
 15 28  1  0  0  0  0
 16 18  2  0  0  0  0
 16 29  1  0  0  0  0
 17 18  1  0  0  0  0
 17 30  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
60327843

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
283

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzMAAEAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAAABwAAAHgIYAAAADALBmiQyAILABECqAiFyEACSAAAsBQAaiKG4DtgKZrKBtzmfMQBk3gGYqYeYyCCOBAAAAAAAAAAIAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]propanamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]propanamide

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

> <PUBCHEM_IUPAC_NAME>
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]propanamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]propanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]propionamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H12ClN3O2/c1-2-10(17)14-7-11-15-16-12(18-11)8-3-5-9(13)6-4-8/h3-6H,2,7H2,1H3,(H,14,17)

> <PUBCHEM_IUPAC_INCHIKEY>
OIJAEXYUFPBVHU-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.7

> <PUBCHEM_EXACT_MASS>
265.0618043

> <PUBCHEM_MOLECULAR_FORMULA>
C12H12ClN3O2

> <PUBCHEM_MOLECULAR_WEIGHT>
265.69

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCC(=O)NCC1=NN=C(O1)C2=CC=C(C=C2)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCC(=O)NCC1=NN=C(O1)C2=CC=C(C=C2)Cl

> <PUBCHEM_CACTVS_TPSA>
68

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
265.0618043

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
18

> <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>
13  16  8
14  17  8
16  18  8
17  18  8
2  10  8
2  8  8
5  6  8
5  8  8
6  10  8
9  13  8
9  14  8

$$$$