136538516
  -OEChem-06192423312D

 34 35  0     0  0  0  0  0  0999 V2000
    6.2524    1.5937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1756   -0.9633    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5768    0.0548    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7524    0.0548    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4434    1.0059    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1646   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3556   -1.3420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9736   -1.3420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6646   -2.2930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6646   -2.2930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7524    0.0548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5823   -0.0497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0614    1.0059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0125    1.3149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9945    0.7593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2204    2.2930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.6548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0456   -0.8050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7892   -1.5942    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5400   -1.5942    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2836   -0.8050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0582   -2.4220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7294   -2.9096    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5998   -2.9096    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2711   -2.4220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8290    0.6212    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0988    0.7009    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6321    1.2932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2467    1.3257    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8268    2.1641    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3493    2.8995    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6139    2.4220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6356    1.1564    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7478    0.0884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 13  1  0  0  0  0
  2 12  2  0  0  0  0
  3  6  1  0  0  0  0
  3 12  1  0  0  0  0
  3 26  1  0  0  0  0
  4 11  1  0  0  0  0
  4 13  2  0  0  0  0
  5 11  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 11  1  0  0  0  0
  7  9  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 10  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 10  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  1  0  0  0  0
 14 16  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
 15 17  2  0  0  0  0
 15 29  1  0  0  0  0
 16 30  1  0  0  0  0
 16 31  1  0  0  0  0
 16 32  1  0  0  0  0
 17 33  1  0  0  0  0
 17 34  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
136538516

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
300

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzMAAAAAAAAAAAAAAAAAAAAeIAAAAAAAAAAAAAAAABgAAAHgAUAAAADIiBgwADEAbYEACpACNyNgCAgAkAAKApAAEwAECASAIAiAAUAAAAFQKAAIEQAAAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H17N3O2/c1-3-9(16)14-12(7-5-6-8-12)11-13-10(4-2)17-15-11/h3H,1,4-8H2,2H3,(H,14,16)

> <PUBCHEM_IUPAC_INCHIKEY>
BXDUWAUPSHABDK-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.8

> <PUBCHEM_EXACT_MASS>
235.132076794

> <PUBCHEM_MOLECULAR_FORMULA>
C12H17N3O2

> <PUBCHEM_MOLECULAR_WEIGHT>
235.28

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCC1=NC(=NO1)C2(CCCC2)NC(=O)C=C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCC1=NC(=NO1)C2(CCCC2)NC(=O)C=C

> <PUBCHEM_CACTVS_TPSA>
68

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
235.132076794

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
17

> <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  13  8
1  5  8
4  11  8
4  13  8
5  11  8

$$$$
