
 CHEMBL608384

 34 35  0  0  0  0  0  0  0  0999 V2000
    0.4254   -0.8117    0.8895 C   0  0  0  0  0
    1.8929   -0.7319    0.4412 C   0  0  0  0  0
    1.9653   -1.2104   -1.0171 C   0  0  0  0  0
    2.4816    0.7012    0.6383 C   0  0  0  0  0
    2.4185    1.2402    2.0768 C   0  0  0  0  0
    2.2372    2.6189    2.2766 C   0  0  0  0  0
    2.1917    3.1564    3.5676 C   0  0  0  0  0
    2.3275    2.3177    4.6709 C   0  0  0  0  0
    2.5259    0.9523    4.4937 C   0  0  0  0  0
    2.5867    0.4184    3.2036 C   0  0  0  0  0
    2.2570    2.9745    6.2587 Cl  0  0  0  0  0
    3.9423    0.7477    0.1537 C   0  0  0  0  0
    4.8553    0.2694    0.8408 O   0  0  0  0  0
    4.3134    1.2599   -1.0540 N   0  0  0  0  0
    3.5674    1.7800   -2.0897 C   0  0  0  0  0
    2.2493    1.9772   -2.1053 N   0  0  0  0  0
    1.9382    2.4670   -3.3563 O   0  0  0  0  0
    3.0697    2.5746   -4.0885 C   0  0  0  0  0
    4.1359    2.1664   -3.3306 C   0  0  0  0  0
    0.3160   -0.6394    1.9627 H   0  0  0  0  0
    0.0102   -1.8037    0.6817 H   0  0  0  0  0
   -0.1879   -0.0733    0.3625 H   0  0  0  0  0
    2.4734   -1.4506    1.0322 H   0  0  0  0  0
    1.3678   -0.5729   -1.6768 H   0  0  0  0  0
    1.5747   -2.2296   -1.1052 H   0  0  0  0  0
    2.9933   -1.2333   -1.3878 H   0  0  0  0  0
    1.8589    1.3830    0.0600 H   0  0  0  0  0
    2.1320    3.2909    1.4265 H   0  0  0  0  0
    2.0514    4.2255    3.7030 H   0  0  0  0  0
    2.6423    0.2968    5.3524 H   0  0  0  0  0
    2.7702   -0.6478    3.0951 H   0  0  0  0  0
    5.3092    1.1863   -1.2100 H   0  0  0  0  0
    2.9474    2.9425   -5.0966 H   0  0  0  0  0
    5.1690    2.1310   -3.6375 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  1  0  0  0
 18 19  2  0  0  0
 18 33  1  0  0  0
 19 34  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL608384

>  <PubChem CID>
46226179

>  <Formula>
C14H15ClN2O2

>  <Molecular Weight>
278.736000

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

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(C)C(C1=CC=C(C=C1)Cl)C(=O)NC2=NOC=C2

>  <Isomeric SMILES>
CC(C)[C@@H](C1=CC=C(C=C1)Cl)C(=O)NC2=NOC=C2

>  <InChI Std. ID>
InChI=1S/C14H15ClN2O2/c1-9(2)13(10-3-5-11(15)6-4-10)14(18)16-12-7-8-19-17-12/h3-9,13H,1-2H3,(H,16,17,18)/t13-/m0/s1

>  <InChI Key>
JKXABPZOYWUDOA-ZDUSSCGKSA-N

