16189039
  -OEChem-05042407562D

 48 51  0     0  0  0  0  0  0999 V2000
    5.8849   -2.2594    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3966   -1.1661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6386   -3.2344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5305    0.3339    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6940   -3.6606    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -3.8686    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5522   -3.6411    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3966    0.8339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3966    1.8339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2626    2.3339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6645   -1.1661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2626    3.3339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5305   -0.6661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6645   -2.1661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5305    2.3339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6645    0.8339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1565    1.7992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3966    3.8339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5305    3.3339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1565    3.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7985   -2.6661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0626    2.3131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0626    3.3547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2158   -3.0025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2213   -2.8980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7213   -2.0320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7431   -2.2399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6086    0.2513    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0071    0.9415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4525   -0.5835    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0539   -1.2738    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8766   -2.7487    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2751   -2.0584    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9936    2.0239    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9745    1.3708    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1276    1.1439    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3545    0.2970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1494    1.1793    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3966    4.4539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9936    3.6439    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1494    4.4885    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5983    2.0010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5983    3.6668    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9735   -1.4656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4149   -1.1100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5392   -1.1559    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5851   -2.0315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  1 24  1  0  0  0  0
  2 13  2  0  0  0  0
  3  7  1  0  0  0  0
  3 27  1  0  0  0  0
  4  8  1  0  0  0  0
  4 13  1  0  0  0  0
  4 16  1  0  0  0  0
  5  6  1  0  0  0  0
  5 21  2  0  0  0  0
  6 24  2  0  0  0  0
  7 25  2  0  0  0  0
  8  9  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  2  0  0  0  0
 10 12  1  0  0  0  0
 10 17  2  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
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 12 20  2  0  0  0  0
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 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
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 15 35  1  0  0  0  0
 16 36  1  0  0  0  0
 16 37  1  0  0  0  0
 16 38  1  0  0  0  0
 17 22  1  0  0  0  0
 17 39  1  0  0  0  0
 18 19  2  0  0  0  0
 18 40  1  0  0  0  0
 19 41  1  0  0  0  0
 20 23  1  0  0  0  0
 20 42  1  0  0  0  0
 22 23  2  0  0  0  0
 22 43  1  0  0  0  0
 23 44  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 45  1  0  0  0  0
 27 28  1  0  0  0  0
 28 46  1  0  0  0  0
 28 47  1  0  0  0  0
 28 48  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
16189039

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
534

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAAAAAAAAAAAAAAAAAAAWLAAAAwYAAAAAAAAADB9AAAHgAMAAAADAzBngQyhNMQBECrA6VyUgSSAAAuIgA6mCG+bNoKZrqAtZuPMYhmzhmI6cf/gMAOgAACAAAQAAAAAAQAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-methyl-3-[5-(5-methylisoxazol-3-yl)-1,3,4-oxadiazol-2-yl]-N-(1-naphthylmethyl)propanamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-methyl-3-[5-(5-methyl-3-isoxazolyl)-1,3,4-oxadiazol-2-yl]-N-(1-naphthalenylmethyl)propanamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-methyl-3-[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]-<I>N</I>-(naphthalen-1-ylmethyl)propanamide

> <PUBCHEM_IUPAC_NAME>
N-methyl-3-[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]-N-(naphthalen-1-ylmethyl)propanamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-methyl-3-[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]-N-(naphthalen-1-ylmethyl)propanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-methyl-3-[5-(5-methylisoxazol-3-yl)-1,3,4-oxadiazol-2-yl]-N-(1-naphthylmethyl)propionamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C21H20N4O3/c1-14-12-18(24-28-14)21-23-22-19(27-21)10-11-20(26)25(2)13-16-8-5-7-15-6-3-4-9-17(15)16/h3-9,12H,10-11,13H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
HLCCHALVPJUVHV-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.8

> <PUBCHEM_EXACT_MASS>
376.15354051

> <PUBCHEM_MOLECULAR_FORMULA>
C21H20N4O3

> <PUBCHEM_MOLECULAR_WEIGHT>
376.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC(=NO1)C2=NN=C(O2)CCC(=O)N(C)CC3=CC=CC4=CC=CC=C43

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC(=NO1)C2=NN=C(O2)CCC(=O)N(C)CC3=CC=CC4=CC=CC=C43

> <PUBCHEM_CACTVS_TPSA>
85.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
376.15354051

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
28

> <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>
1  21  8
1  24  8
10  12  8
10  17  8
12  18  8
12  20  8
15  19  8
17  22  8
18  19  8
20  23  8
22  23  8
25  26  8
26  27  8
3  27  8
3  7  8
5  21  8
5  6  8
6  24  8
7  25  8
9  10  8
9  15  8

$$$$