126814988
  -OEChem-06192423262D

 28 29  0     0  0  0  0  0  0999 V2000
    4.3190   -2.9967    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.9177   -1.9786    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.5000   -1.2742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    2.9967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    1.2647    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1910   -0.3231    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8090   -0.3231    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    1.2647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000    1.2647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    2.2647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000    2.2647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    0.2647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    2.1307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000   -1.2742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    2.1307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9122   -2.0832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.9967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000    0.6447    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6200    1.2647    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    2.8847    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3800    2.2647    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6200    2.2647    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000    2.8847    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6900    0.7277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1900    1.5938    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5478   -2.5848    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    3.5337    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800    2.9967    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  2 16  1  0  0  0  0
  3  7  1  0  0  0  0
  3 14  1  0  0  0  0
  4 13  2  0  0  0  0
  5  8  1  0  0  0  0
  5 13  1  0  0  0  0
  5 24  1  0  0  0  0
  6 12  1  0  0  0  0
  6 14  2  0  0  0  0
  7 12  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  1  0  0  0  0
  9 11  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 11  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 15 25  1  0  0  0  0
 16 26  1  0  0  0  0
 17 27  1  0  0  0  0
 17 28  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
126814988

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
321

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzMYAAAAAAAAAAAAAAAABgAWAAAAAAAAAAAAAAAAABgAAAHwAUAAAADIiBgxABEAbYEACpACNyNgCAgAkAAKApAAAwAECASAIAiAAUAAAAFQKAAIAQAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H11F2N3O2/c1-2-6(16)14-10(4-3-5-10)9-13-8(7(11)12)17-15-9/h2,7H,1,3-5H2,(H,14,16)

> <PUBCHEM_IUPAC_INCHIKEY>
COZVCRCCXUWISX-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.2

> <PUBCHEM_EXACT_MASS>
243.08193293

> <PUBCHEM_MOLECULAR_FORMULA>
C10H11F2N3O2

> <PUBCHEM_MOLECULAR_WEIGHT>
243.21

> <PUBCHEM_OPENEYE_CAN_SMILES>
C=CC(=O)NC1(CCC1)C2=NOC(=N2)C(F)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
C=CC(=O)NC1(CCC1)C2=NOC(=N2)C(F)F

> <PUBCHEM_CACTVS_TPSA>
68

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
243.08193293

> <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>
3  14  8
3  7  8
6  12  8
6  14  8
7  12  8

$$$$
