52120470
  -OEChem-04262421402D

 51 53  0     0  0  0  0  0  0999 V2000
    2.1810   -5.6783    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8907    4.1783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7861   -1.8162    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7567    0.6783    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6227    4.1783    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9771   -0.4150    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3080   -1.1581    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7567    2.6783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8907    2.1783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6227    2.1783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8907    1.1783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6227    1.1783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7567    3.6783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7567   -0.3217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6227    5.1783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4888    3.6783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8907   -0.8217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4888    5.6783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3548    4.1783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8080   -2.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4013   -2.9377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9890   -3.7467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4067   -3.0422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5823   -4.6602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.9558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5878   -4.7648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2936    2.9883    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6786    2.7609    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2801    2.0706    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2333    2.0706    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8348    2.7609    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2801    1.2860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6786    0.5957    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8348    0.5957    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2333    1.2860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9688   -0.9043    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3673   -0.2140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4107    5.7609    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0121    5.0706    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0902    3.2034    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8873    3.2034    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7988    5.1414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0257    5.9883    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1788    6.2152    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6648    3.6414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8917    4.4883    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0448    4.7152    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6056   -3.6819    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0423   -2.5406    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9467   -5.1618    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834   -4.0206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 26  1  0  0  0  0
  2 13  2  0  0  0  0
  3 17  1  0  0  0  0
  3 20  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 14  1  0  0  0  0
  5 13  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6  7  1  0  0  0  0
  6 17  2  0  0  0  0
  7 20  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 27  1  0  0  0  0
  9 11  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 12  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 14 17  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 15 18  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 16 19  1  0  0  0  0
 16 40  1  0  0  0  0
 16 41  1  0  0  0  0
 18 42  1  0  0  0  0
 18 43  1  0  0  0  0
 18 44  1  0  0  0  0
 19 45  1  0  0  0  0
 19 46  1  0  0  0  0
 19 47  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 48  1  0  0  0  0
 23 25  2  0  0  0  0
 23 49  1  0  0  0  0
 24 26  2  0  0  0  0
 24 50  1  0  0  0  0
 25 26  1  0  0  0  0
 25 51  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
52120470

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
447

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAEAAAAAAAAAAAAAAAAAWAAAAA8QAAAAAAAAAABwAAAHgIIAAAADQLBmiQyAIMABECqAiFyEACSAAAsBQAaiCG4DtgKZrKBtzmfMQBkzgGYqYecyCCOBAAAAAAAAAAIAAAAAAAAAAAAAAAAAA==

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

> <PUBCHEM_IUPAC_CAS_NAME>
1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N,N-diethyl-4-piperidinecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-<I>N</I>,<I>N</I>-diethylpiperidine-4-carboxamide

> <PUBCHEM_IUPAC_NAME>
1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N,N-diethylpiperidine-4-carboxamide

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

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N,N-diethyl-isonipecotamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H25ClN4O2/c1-3-24(4-2)19(25)15-9-11-23(12-10-15)13-17-21-22-18(26-17)14-5-7-16(20)8-6-14/h5-8,15H,3-4,9-13H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
HBKYPIFIKSVSLG-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.6

> <PUBCHEM_EXACT_MASS>
376.1666037

> <PUBCHEM_MOLECULAR_FORMULA>
C19H25ClN4O2

> <PUBCHEM_MOLECULAR_WEIGHT>
376.9

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCN(CC)C(=O)C1CCN(CC1)CC2=NN=C(O2)C3=CC=C(C=C3)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCN(CC)C(=O)C1CCN(CC1)CC2=NN=C(O2)C3=CC=C(C=C3)Cl

> <PUBCHEM_CACTVS_TPSA>
62.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
376.1666037

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
26

> <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>
21  22  8
21  23  8
22  24  8
23  25  8
24  26  8
25  26  8
3  17  8
3  20  8
6  17  8
6  7  8
7  20  8

$$$$