60159560
  -OEChem-05102422252D

 56 59  0     1  0  0  0  0  0999 V2000
    8.0440    3.6433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0146   -0.8512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5878    2.5671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8806    0.6488    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2350    2.2420    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7466   -0.8512    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0659    3.8512    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0146    2.1488    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.8806    2.6488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0146    1.1488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7466    2.1488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7466    1.1488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1486    2.6488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8806   -0.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5659    2.9852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7466   -1.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5714    2.8807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8806   -2.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6127   -2.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8806   -3.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6127   -3.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7466   -3.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1646    1.9671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9836    3.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0146   -3.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4787   -3.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1701    1.8626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9890    3.5852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5823    2.6716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.3761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4776    1.8388    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2791    3.1237    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4821    3.1237    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4040    1.2564    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8025    0.5662    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3572    2.0411    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9587    2.7314    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9587    0.5662    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3572    1.2564    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2836   -0.5412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3437   -2.0412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1496   -2.0412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7466   -4.4712    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5290    1.4655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2357    4.2561    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7046   -3.3143    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4776   -4.1612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3246   -4.3882    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1687   -4.3882    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0156   -4.1612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7887   -3.3143    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.2962    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6246    4.0867    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5016    3.7405    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6356    3.8777    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4984    3.0117    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 13  1  0  0  0  0
  2 14  2  0  0  0  0
  3 29  1  0  0  0  0
  3 30  1  0  0  0  0
  4 10  1  0  0  0  0
  4 12  1  0  0  0  0
  4 14  1  0  0  0  0
  5 13  2  0  0  0  0
  5 15  1  0  0  0  0
  6 14  1  0  0  0  0
  6 16  1  0  0  0  0
  6 40  1  0  0  0  0
  7 15  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 13  1  0  0  0  0
  8 31  1  0  0  0  0
  9 11  1  0  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 12  1  0  0  0  0
 11 36  1  0  0  0  0
 11 37  1  0  0  0  0
 12 38  1  0  0  0  0
 12 39  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 23  2  0  0  0  0
 17 24  1  0  0  0  0
 18 20  1  0  0  0  0
 18 41  1  0  0  0  0
 19 21  2  0  0  0  0
 19 42  1  0  0  0  0
 20 22  2  0  0  0  0
 20 25  1  0  0  0  0
 21 22  1  0  0  0  0
 21 26  1  0  0  0  0
 22 43  1  0  0  0  0
 23 27  1  0  0  0  0
 23 44  1  0  0  0  0
 24 28  2  0  0  0  0
 24 45  1  0  0  0  0
 25 46  1  0  0  0  0
 25 47  1  0  0  0  0
 25 48  1  0  0  0  0
 26 49  1  0  0  0  0
 26 50  1  0  0  0  0
 26 51  1  0  0  0  0
 27 29  2  0  0  0  0
 27 52  1  0  0  0  0
 28 29  1  0  0  0  0
 28 53  1  0  0  0  0
 30 54  1  0  0  0  0
 30 55  1  0  0  0  0
 30 56  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
60159560

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
559

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAAAB0AAAHgAUAAAADQzBmwYz1ofYFACpAidydgCCiAkhIqApiCE+bJiMLrrE+ZuEMChu1xPI6CeY0UIOIAACQAAAAABAAASAAAAAAAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C23H26N4O3/c1-15-11-16(2)13-19(12-15)24-23(28)27-10-4-5-18(14-27)22-25-21(26-30-22)17-6-8-20(29-3)9-7-17/h6-9,11-13,18H,4-5,10,14H2,1-3H3,(H,24,28)

> <PUBCHEM_IUPAC_INCHIKEY>
MUJDPSUNGOXFRK-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4

> <PUBCHEM_EXACT_MASS>
406.20049070

> <PUBCHEM_MOLECULAR_FORMULA>
C23H26N4O3

> <PUBCHEM_MOLECULAR_WEIGHT>
406.5

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

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

> <PUBCHEM_CACTVS_TPSA>
80.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
406.20049070

> <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>
1  13  8
1  7  8
16  18  8
16  19  8
17  23  8
17  24  8
18  20  8
19  21  8
20  22  8
21  22  8
23  27  8
24  28  8
27  29  8
28  29  8
5  13  8
5  15  8
7  15  8
8  13  3

$$$$