60159559
  -OEChem-05132422052D

 53 56  0     1  0  0  0  0  0999 V2000
    9.0146   -3.3512    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.0440    4.1433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0146   -0.3512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5878    3.0671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8806    1.1488    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2350    2.7420    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7466   -0.3512    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0659    4.3512    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0146    2.6488    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.8806    3.1488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0146    1.6488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7466    2.6488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7466    1.6488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1486    3.1488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8806    0.1488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5659    3.4852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7466   -1.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5714    3.3807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8806   -1.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6127   -1.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1646    2.4671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9836    4.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8806   -2.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6127   -2.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7466   -3.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1701    2.3626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9890    4.0851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5823    3.1716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7466   -4.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.8761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4776    2.3388    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2791    3.6237    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4821    3.6237    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4040    1.7564    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8025    1.0662    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3572    2.5411    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9587    3.2314    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9587    1.0662    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3572    1.7564    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2836   -0.0412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3437   -1.5412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1496   -1.5412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5290    1.9655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2357    4.7561    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1496   -3.1612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.7962    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6246    4.5867    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1266   -4.3512    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7466   -4.9712    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3666   -4.3512    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5016    4.2405    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6356    4.3777    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4984    3.5117    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  1  0  0  0  0
  2  8  1  0  0  0  0
  2 14  1  0  0  0  0
  3 15  2  0  0  0  0
  4 28  1  0  0  0  0
  4 30  1  0  0  0  0
  5 11  1  0  0  0  0
  5 13  1  0  0  0  0
  5 15  1  0  0  0  0
  6 14  2  0  0  0  0
  6 16  1  0  0  0  0
  7 15  1  0  0  0  0
  7 17  1  0  0  0  0
  7 40  1  0  0  0  0
  8 16  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 14  1  0  0  0  0
  9 31  1  0  0  0  0
 10 12  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 34  1  0  0  0  0
 11 35  1  0  0  0  0
 12 13  1  0  0  0  0
 12 36  1  0  0  0  0
 12 37  1  0  0  0  0
 13 38  1  0  0  0  0
 13 39  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
 18 21  2  0  0  0  0
 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
 19 41  1  0  0  0  0
 20 24  2  0  0  0  0
 20 42  1  0  0  0  0
 21 26  1  0  0  0  0
 21 43  1  0  0  0  0
 22 27  2  0  0  0  0
 22 44  1  0  0  0  0
 23 25  2  0  0  0  0
 24 25  1  0  0  0  0
 24 45  1  0  0  0  0
 25 29  1  0  0  0  0
 26 28  2  0  0  0  0
 26 46  1  0  0  0  0
 27 28  1  0  0  0  0
 27 47  1  0  0  0  0
 29 48  1  0  0  0  0
 29 49  1  0  0  0  0
 29 50  1  0  0  0  0
 30 51  1  0  0  0  0
 30 52  1  0  0  0  0
 30 53  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
60159559

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
575

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sQAAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAAAB0AAAHwAUAAAADQzBmw4z1ofYFACpAidydgCCiAkhIqApiCE+bJiMLrrE+ZuEMChu1xPI6CeY0QIOKAAAAAAAAABQAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-(3-fluoro-4-methyl-phenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-(3-fluoro-4-methylphenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidinecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-(3-fluoro-4-methylphenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide

> <PUBCHEM_IUPAC_NAME>
N-(3-fluoro-4-methylphenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-(3-fluoranyl-4-methyl-phenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-(3-fluoro-4-methyl-phenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C22H23FN4O3/c1-14-5-8-17(12-19(14)23)24-22(28)27-11-3-4-16(13-27)21-25-20(26-30-21)15-6-9-18(29-2)10-7-15/h5-10,12,16H,3-4,11,13H2,1-2H3,(H,24,28)

> <PUBCHEM_IUPAC_INCHIKEY>
MXCCZLGAKIXYIS-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.7

> <PUBCHEM_EXACT_MASS>
410.17541877

> <PUBCHEM_MOLECULAR_FORMULA>
C22H23FN4O3

> <PUBCHEM_MOLECULAR_WEIGHT>
410.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C(C=C(C=C1)NC(=O)N2CCCC(C2)C3=NC(=NO3)C4=CC=C(C=C4)OC)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C(C=C(C=C1)NC(=O)N2CCCC(C2)C3=NC(=NO3)C4=CC=C(C=C4)OC)F

> <PUBCHEM_CACTVS_TPSA>
80.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
410.17541877

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
30

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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>
17  19  8
17  20  8
18  21  8
18  22  8
19  23  8
2  14  8
2  8  8
20  24  8
21  26  8
22  27  8
23  25  8
24  25  8
26  28  8
27  28  8
6  14  8
6  16  8
8  16  8
9  14  3

$$$$