121581988
  -OEChem-06192423252D

 28 29  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
    2.0570   -0.3087    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
    2.8660   -1.8965    0.0000 C   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
    2.8660   -0.8965    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
    3.7320   -2.3965    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   -3.3965    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
    2.8660   -3.8965    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
    3.7281    4.0875    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
    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
    4.2690   -2.0865    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
    2.9305    2.4297    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
    1.4631   -3.7065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1115    4.1523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9325    4.8317    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0637    5.4629    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  3 16  2  0  0  0  0
  4  8  1  0  0  0  0
  4 16  1  0  0  0  0
  4 23  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  2  0  0  0  0
  7  9  1  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 10  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
 11 13  1  0  0  0  0
 11 21  1  0  0  0  0
 12 14  2  0  0  0  0
 12 22  1  0  0  0  0
 13 15  2  0  0  0  0
 13 24  1  0  0  0  0
 14 15  1  0  0  0  0
 14 25  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 26  1  0  0  0  0
 18 27  1  0  0  0  0
 18 28  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
121581988

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
306

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzMAAEAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAAABwAAAHgIYAAAADALBmiQwAILABECqAiFyEACSAAAsBQAaiKG4DtgKZrKBtzmbMQBk3gGYqYeYyCCOBAAAAAAAAAAIAAAAAAAAAAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H10ClN3O2/c1-2-10(17)14-7-11-15-16-12(18-11)8-3-5-9(13)6-4-8/h2-6H,1,7H2,(H,14,17)

> <PUBCHEM_IUPAC_INCHIKEY>
KWCVMQWSYJTHDC-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.8

> <PUBCHEM_EXACT_MASS>
263.0461543

> <PUBCHEM_MOLECULAR_FORMULA>
C12H10ClN3O2

> <PUBCHEM_MOLECULAR_WEIGHT>
263.68

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

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

> <PUBCHEM_CACTVS_TPSA>
68

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
263.0461543

> <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>
11  13  8
12  14  8
13  15  8
14  15  8
2  10  8
2  9  8
5  6  8
5  9  8
6  10  8
7  11  8
7  12  8

$$$$
