121582148
  -OEChem-06192423262D

 25 26  0     0  0  0  0  0  0999 V2000
    7.1485    0.5450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4863    0.8843    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6485   -0.9939    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6485   -0.9939    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453   -0.4029    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9086    0.2662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8867    0.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5777    1.0094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9575   -0.0428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3395   -0.0428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3884    0.2662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6942   -0.0939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511   -0.7630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5709    0.7862    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8651   -0.5613    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5007    0.1446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1251    1.3004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1960    1.4979    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6795    0.8136    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8998    0.6479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7742   -1.0094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0800   -1.3695    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8711    0.1524    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5392   -0.8689    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  2 12  2  0  0  0  0
  3  4  1  0  0  0  0
  3  9  2  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 22  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 15  1  0  0  0  0
  7  8  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
 10 11  1  0  0  0  0
 11 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 23  1  0  0  0  0
 14 24  1  0  0  0  0
 14 25  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
121582148

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
240

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzMAAAAAAAAAAAAAAAGAAAAWAAAAAAAAAAAAAAAAABgAAAHgAYAAAADQDBggQAAALABECqACFyEACQAAAIAAAaAIG4AEACQBAAgCAbAAAEHgCQAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C9H11N3O2/c1-2-7(13)10-5-8-11-12-9(14-8)6-3-4-6/h2,6H,1,3-5H2,(H,10,13)

> <PUBCHEM_IUPAC_INCHIKEY>
OTKKJEKSOMKFEY-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
0.1

> <PUBCHEM_EXACT_MASS>
193.085126602

> <PUBCHEM_MOLECULAR_FORMULA>
C9H11N3O2

> <PUBCHEM_MOLECULAR_WEIGHT>
193.20

> <PUBCHEM_OPENEYE_CAN_SMILES>
C=CC(=O)NCC1=NN=C(O1)C2CC2

> <PUBCHEM_OPENEYE_ISO_SMILES>
C=CC(=O)NCC1=NN=C(O1)C2CC2

> <PUBCHEM_CACTVS_TPSA>
68

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
193.085126602

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
14

> <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  10  8
1  9  8
3  4  8
3  9  8
4  10  8

$$$$
