54585502
  -OEChem-05082404312D

 43 46  0     1  0  0  0  0  0999 V2000
    7.4323   -1.8682    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4617    2.6263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2983   -0.3683    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6527    1.2250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4836    2.8342    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5823    0.9501    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1643   -1.8682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4231   -2.8342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1302   -1.6094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3891   -2.5754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4323    1.1318    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.4323    0.1317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2983   -1.3682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1643    0.1317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2983    1.6318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1643    1.1318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5662    1.6318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9836    1.9682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9890    1.8636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4013    2.6726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4067    2.5681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5878    0.8456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.6546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2452   -1.2536    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8243   -2.9946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5836   -3.4330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7291   -1.4490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9698   -1.0106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5495   -3.1742    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9879   -2.4149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6962    0.7067    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8217    0.2394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2202   -0.4509    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3764   -0.4509    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7749    0.2394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6968    2.1067    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8998    2.1067    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7749    1.0241    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3764    1.7144    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6534    3.2390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0423    3.0697    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3356    0.2792    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834    1.5898    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  2  0  0  0  0
  2  5  1  0  0  0  0
  2 17  1  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  4 17  2  0  0  0  0
  4 18  1  0  0  0  0
  5 18  2  0  0  0  0
  6 19  1  0  0  0  0
  6 22  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 13  1  0  0  0  0
  7 24  1  0  0  0  0
  8 10  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 10  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 12  1  0  0  0  0
 11 15  1  0  0  0  0
 11 17  1  0  0  0  0
 11 31  1  6  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 14 16  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 15 16  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 38  1  0  0  0  0
 16 39  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 40  1  0  0  0  0
 21 23  2  0  0  0  0
 21 41  1  0  0  0  0
 22 23  1  0  0  0  0
 22 42  1  0  0  0  0
 23 43  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
54585502

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
429

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAAAAAAAAAAAAAAAABgAWAAAAAsWAAAAAAAAAAB4AAAHgAEAAAADQjBlwQ9kJcYEACpATd3dgCCgCkxAqAp2CE4ZJiIaPrA2ZGUIAhmhwLIyAeYEQIMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
cyclobutyl-[(3S)-3-[3-(2-pyridyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]methanone

> <PUBCHEM_IUPAC_CAS_NAME>
cyclobutyl-[(3S)-3-[3-(2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-piperidinyl]methanone

> <PUBCHEM_IUPAC_NAME_MARKUP>
cyclobutyl-[(3<I>S</I>)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone

> <PUBCHEM_IUPAC_NAME>
cyclobutyl-[(3S)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
cyclobutyl-[(3S)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
cyclobutyl-[(3S)-3-[3-(2-pyridyl)-1,2,4-oxadiazol-5-yl]piperidino]methanone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H20N4O2/c22-17(12-5-3-6-12)21-10-4-7-13(11-21)16-19-15(20-23-16)14-8-1-2-9-18-14/h1-2,8-9,12-13H,3-7,10-11H2/t13-/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
WLKJRCMNWNONOP-ZDUSSCGKSA-N

> <PUBCHEM_XLOGP3_AA>
1.8

> <PUBCHEM_EXACT_MASS>
312.15862589

> <PUBCHEM_MOLECULAR_FORMULA>
C17H20N4O2

> <PUBCHEM_MOLECULAR_WEIGHT>
312.37

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CC(C1)C(=O)N2CCCC(C2)C3=NC(=NO3)C4=CC=CC=N4

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1C[C@@H](CN(C1)C(=O)C2CCC2)C3=NC(=NO3)C4=CC=CC=N4

> <PUBCHEM_CACTVS_TPSA>
72.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
312.15862589

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
23

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
1

> <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  31  6
19  20  8
2  17  8
2  5  8
20  21  8
21  23  8
22  23  8
4  17  8
4  18  8
5  18  8
6  19  8
6  22  8

$$$$