
 CHEMBL593436

 34 35  0  0  0  0  0  0  0  0999 V2000
    0.5343   -0.1613   -0.0091 C   0  0  0  0  0
    2.0523   -0.3306    0.1505 C   0  0  0  0  0
    2.6011   -0.9800   -1.1310 C   0  0  0  0  0
    2.7494    1.0371    0.4219 C   0  0  0  0  0
    2.2363    1.7558    1.6659 C   0  0  0  0  0
    1.6860    3.0430    1.5439 C   0  0  0  0  0
    1.1923    3.7172    2.6631 C   0  0  0  0  0
    1.2530    3.1137    3.9161 C   0  0  0  0  0
    1.8069    1.8442    4.0596 C   0  0  0  0  0
    2.2970    1.1677    2.9391 C   0  0  0  0  0
    0.6418    3.9431    5.2945 Cl  0  0  0  0  0
    4.2769    0.8495    0.4988 C   0  0  0  0  0
    4.7789    0.0382    1.2874 O   0  0  0  0  0
    5.1239    1.5062   -0.3404 N   0  0  0  0  0
    4.8177    2.4770   -1.2378 C   0  0  0  0  0
    3.7080    3.1501   -1.4389 N   0  0  0  0  0
    3.9937    3.9658   -2.5020 C   0  0  0  0  0
    5.2822    3.7489   -2.9144 C   0  0  0  0  0
    5.8319    2.8119   -2.0923 O   0  0  0  0  0
    0.0702    0.2008    0.9130 H   0  0  0  0  0
    0.0606   -1.1167   -0.2584 H   0  0  0  0  0
    0.2985    0.5484   -0.8103 H   0  0  0  0  0
    2.2357   -1.0220    0.9822 H   0  0  0  0  0
    2.4963   -0.3087   -1.9908 H   0  0  0  0  0
    2.0649   -1.9069   -1.3600 H   0  0  0  0  0
    3.6601   -1.2370   -1.0297 H   0  0  0  0  0
    2.4817    1.6440   -0.4404 H   0  0  0  0  0
    1.6341    3.5294    0.5709 H   0  0  0  0  0
    0.7630    4.7087    2.5487 H   0  0  0  0  0
    1.8621    1.3747    5.0380 H   0  0  0  0  0
    2.7340    0.1790    3.0709 H   0  0  0  0  0
    6.0923    1.2270   -0.2942 H   0  0  0  0  0
    3.2619    4.6493   -2.9097 H   0  0  0  0  0
    5.9128    4.1377   -3.6999 H   0  0  0  0  0
  1  2  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 23  1  0  0  0
  3 24  1  0  0  0
  3 25  1  0  0  0
  3 26  1  0  0  0
  4 12  1  0  0  0
  4  5  1  0  0  0
  4 27  1  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6  7  1  0  0  0
  6 28  1  0  0  0
  7  8  2  0  0  0
  7 29  1  0  0  0
  8  9  1  0  0  0
  8 11  1  0  0  0
  9 10  2  0  0  0
  9 30  1  0  0  0
 10 31  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 14 15  1  0  0  0
 14 32  1  0  0  0
 15 16  2  0  0  0
 15 19  1  0  0  0
 16 17  1  0  0  0
 17 18  2  0  0  0
 17 33  1  0  0  0
 18 19  1  0  0  0
 18 34  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL593436

>  <PubChem CID>
46226162

>  <Formula>
C14H15ClN2O2

>  <Molecular Weight>
278.736000

>  <IUPAC Name>
(2S)-2-(4-chlorophenyl)-3-methyl-N-(1,3-oxazol-2-yl)butanamide

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(C)C(C1=CC=C(C=C1)Cl)C(=O)NC2=NC=CO2

>  <Isomeric SMILES>
CC(C)[C@@H](C1=CC=C(C=C1)Cl)C(=O)NC2=NC=CO2

>  <InChI Std. ID>
InChI=1S/C14H15ClN2O2/c1-9(2)12(10-3-5-11(15)6-4-10)13(18)17-14-16-7-8-19-14/h3-9,12H,1-2H3,(H,16,17,18)/t12-/m0/s1

>  <InChI Key>
AAOJAMJIDLDOCS-LBPRGKRZSA-N

