
 CHEMBL600833

 41 43  0  0  0  0  0  0  0  0999 V2000
    0.8467    2.3724   -0.2318 C   0  0  0  0  0
    1.9975    2.0338    0.7090 C   0  0  0  0  0
    3.1608    1.3900    0.0497 N   0  0  0  0  0
    2.9925    0.0103   -0.3978 C   0  0  0  0  0
    3.8573   -0.5902   -1.3290 C   0  0  0  0  0
    3.6801   -1.9081   -1.7725 C   0  0  0  0  0
    2.6143   -2.6599   -1.2999 C   0  0  0  0  0
    1.7289   -2.1005   -0.3923 C   0  0  0  0  0
    1.9163   -0.7823    0.0514 C   0  0  0  0  0
    2.3865   -4.2733   -1.8465 Cl  0  0  0  0  0
    4.3809    2.0904   -0.1792 C   0  0  0  0  0
    5.4248    1.5874   -0.5883 O   0  0  0  0  0
    4.4088    3.5043    0.1349 C   0  0  0  0  0
    4.5195    4.0105    1.4171 C   0  0  0  0  0
    4.5541    5.3599    1.3634 O   0  0  0  0  0
    4.5508    5.7648    0.0551 N   0  0  0  0  0
    4.5540    4.6534   -0.7119 C   0  0  0  0  0
    4.7632    4.8140   -2.1666 C   0  0  0  0  0
    5.6159    5.8708   -2.5687 C   0  0  0  0  0
    5.8708    6.1559   -3.9139 C   0  0  0  0  0
    5.2897    5.3790   -4.9034 C   0  0  0  0  0
    4.4536    4.3279   -4.5411 C   0  0  0  0  0
    4.1808    4.0487   -3.1891 C   0  0  0  0  0
    3.0444    2.7812   -2.9411 Cl  0  0  0  0  0
    4.6053    3.4176    2.7669 C   0  0  0  0  0
   -0.0020    2.7588    0.3415 H   0  0  0  0  0
    0.5004    1.5069   -0.8034 H   0  0  0  0  0
    1.1362    3.1537   -0.9400 H   0  0  0  0  0
    1.6581    1.4060    1.5383 H   0  0  0  0  0
    2.2801    2.9653    1.1957 H   0  0  0  0  0
    4.6871   -0.0496   -1.7800 H   0  0  0  0  0
    4.3761   -2.3268   -2.4945 H   0  0  0  0  0
    0.8854   -2.6765   -0.0197 H   0  0  0  0  0
    1.1884   -0.4172    0.7642 H   0  0  0  0  0
    6.0930    6.5040   -1.8193 H   0  0  0  0  0
    6.5183    6.9886   -4.1792 H   0  0  0  0  0
    5.4765    5.5938   -5.9524 H   0  0  0  0  0
    3.9938    3.7299   -5.3256 H   0  0  0  0  0
    4.5416    2.3256    2.7316 H   0  0  0  0  0
    3.7902    3.7840    3.3982 H   0  0  0  0  0
    5.5547    3.6845    3.2414 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 11  1  0  0  0
  3  4  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 31  1  0  0  0
  6  7  2  0  0  0
  6 32  1  0  0  0
  7  8  1  0  0  0
  7 10  1  0  0  0
  8  9  2  0  0  0
  8 33  1  0  0  0
  9 34  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 13 17  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 14 25  1  0  0  0
 15 16  1  0  0  0
 16 17  2  0  0  0
 17 18  1  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 19 35  1  0  0  0
 20 21  2  0  0  0
 20 36  1  0  0  0
 21 22  1  0  0  0
 21 37  1  0  0  0
 22 23  2  0  0  0
 22 38  1  0  0  0
 23 24  1  0  0  0
 25 39  1  0  0  0
 25 40  1  0  0  0
 25 41  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL600833

>  <PubChem CID>
46232628

>  <Formula>
C19H16Cl2N2O2

>  <Molecular Weight>
375.249000

>  <IUPAC Name>
3-(2-chlorophenyl)-N-(4-chlorophenyl)-N-ethyl-5-methyl-1,2-oxazole-4-carboxamide

>  <XlogP>
5.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCN(C1=CC=C(C=C1)Cl)C(=O)C2=C(ON=C2C3=CC=CC=C3Cl)C

>  <Isomeric SMILES>
CCN(C1=CC=C(C=C1)Cl)C(=O)C2=C(ON=C2C3=CC=CC=C3Cl)C

>  <InChI Std. ID>
InChI=1S/C19H16Cl2N2O2/c1-3-23(14-10-8-13(20)9-11-14)19(24)17-12(2)25-22-18(17)15-6-4-5-7-16(15)21/h4-11H,3H2,1-2H3

>  <InChI Key>
BIUINJZWFBORCW-UHFFFAOYSA-N

