
 CHEMBL2316279

 52 54  0  0  0  0  0  0  0  0999 V2000
    2.6021    2.4924   -3.0085 C   0  0  0  0  0
    2.5045    3.7342   -2.1356 C   0  0  0  0  0
    3.1493    3.5665   -0.7577 C   0  0  0  0  0
    4.6659    3.3772   -0.8204 C   0  0  0  0  0
    5.2825    3.3293    0.5820 C   0  0  0  0  0
    6.7286    3.1145    0.4967 N   0  0  0  0  0
    7.3186    1.8513    0.4213 C   0  0  0  0  0
    8.6358    1.6196    0.2105 C   0  0  0  0  0
    9.5623    2.7939    0.0374 C   0  0  0  0  0
   10.7652    2.6649   -0.1698 O   0  0  0  0  0
    8.9102    4.0778    0.1181 C   0  0  0  0  0
    7.5629    4.1691    0.3314 C   0  0  0  0  0
    7.1742    5.4636    0.3473 O   0  0  0  0  0
    8.2967    6.2655    0.1490 N   0  0  0  0  0
    9.3328    5.4179    0.0150 C   0  0  0  0  0
   10.7022    5.9334   -0.2101 C   0  0  0  0  0
    9.0757    0.1991    0.1250 C   0  0  0  0  0
    8.3283   -0.7216    0.4453 O   0  0  0  0  0
   10.3445   -0.0029   -0.3573 N   0  0  0  0  0
   10.9307   -1.3292   -0.4802 C   0  0  0  0  0
   11.6906   -1.7071    0.7962 C   0  0  0  0  0
   12.3594   -3.0736    0.6646 C   0  0  0  0  0
   13.2572   -3.1490   -0.5675 C   0  0  0  0  0
   12.5065   -2.7624   -1.8386 C   0  0  0  0  0
   11.8473   -1.3925   -1.7060 C   0  0  0  0  0
    2.0502    2.6454   -3.9416 H   0  0  0  0  0
    2.1749    1.6212   -2.5018 H   0  0  0  0  0
    3.6394    2.2662   -3.2720 H   0  0  0  0  0
    1.4447    3.9783   -1.9957 H   0  0  0  0  0
    2.9585    4.5837   -2.6589 H   0  0  0  0  0
    2.6911    2.7164   -0.2378 H   0  0  0  0  0
    2.9240    4.4604   -0.1631 H   0  0  0  0  0
    5.1149    4.1964   -1.3954 H   0  0  0  0  0
    4.9062    2.4491   -1.3521 H   0  0  0  0  0
    4.8237    2.5164    1.1595 H   0  0  0  0  0
    5.0576    4.2532    1.1298 H   0  0  0  0  0
    6.6089    1.0335    0.5344 H   0  0  0  0  0
   10.7166    7.0267   -0.2722 H   0  0  0  0  0
   11.1115    5.5377   -1.1449 H   0  0  0  0  0
   11.3617    5.6339    0.6107 H   0  0  0  0  0
   10.9527    0.8051   -0.4894 H   0  0  0  0  0
   10.1144   -2.0494   -0.6223 H   0  0  0  0  0
   11.0080   -1.7152    1.6546 H   0  0  0  0  0
   12.4533   -0.9477    1.0140 H   0  0  0  0  0
   12.9499   -3.2834    1.5635 H   0  0  0  0  0
   11.5879   -3.8508    0.6008 H   0  0  0  0  0
   14.1155   -2.4791   -0.4344 H   0  0  0  0  0
   13.6572   -4.1642   -0.6706 H   0  0  0  0  0
   13.1973   -2.7590   -2.6893 H   0  0  0  0  0
   11.7395   -3.5171   -2.0534 H   0  0  0  0  0
   12.6232   -0.6191   -1.6356 H   0  0  0  0  0
   11.2722   -1.1733   -2.6139 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  3  1  0  0  0
  2 29  1  0  0  0
  2 30  1  0  0  0
  3  4  1  0  0  0
  3 31  1  0  0  0
  3 32  1  0  0  0
  4  5  1  0  0  0
  4 33  1  0  0  0
  4 34  1  0  0  0
  5  6  1  0  0  0
  5 35  1  0  0  0
  5 36  1  0  0  0
  6  7  1  0  0  0
  6 12  1  0  0  0
  7  8  2  0  0  0
  7 37  1  0  0  0
  8  9  1  0  0  0
  8 17  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 12  2  0  0  0
 11 15  1  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 14 15  2  0  0  0
 15 16  1  0  0  0
 16 38  1  0  0  0
 16 39  1  0  0  0
 16 40  1  0  0  0
 17 19  1  0  0  0
 17 18  2  0  0  0
 19 20  1  0  0  0
 19 41  1  0  0  0
 20 25  1  0  0  0
 20 21  1  0  0  0
 20 42  1  0  0  0
 21 22  1  0  0  0
 21 43  1  0  0  0
 21 44  1  0  0  0
 22 23  1  0  0  0
 22 45  1  0  0  0
 22 46  1  0  0  0
 23 24  1  0  0  0
 23 47  1  0  0  0
 23 48  1  0  0  0
 24 25  1  0  0  0
 24 49  1  0  0  0
 24 50  1  0  0  0
 25 51  1  0  0  0
 25 52  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2316279

>  <PubChem CID>
71563148

>  <Formula>
C19H27N3O3

>  <Molecular Weight>
345.443000

>  <IUPAC Name>
N-cyclohexyl-3-methyl-4-oxo-7-pentyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCCCCN1C=C(C(=O)C2=C1ON=C2C)C(=O)NC3CCCCC3

>  <Isomeric SMILES>
CCCCCN1C=C(C(=O)C2=C1ON=C2C)C(=O)NC3CCCCC3

>  <InChI Std. ID>
InChI=1S/C19H27N3O3/c1-3-4-8-11-22-12-15(17(23)16-13(2)21-25-19(16)22)18(24)20-14-9-6-5-7-10-14/h12,14H,3-11H2,1-2H3,(H,20,24)

>  <InChI Key>
BMNUQAZPOQDTNO-UHFFFAOYSA-N

