
 CHEMBL605367

 44 46  0  0  0  0  0  0  0  0999 V2000
    3.2898   -0.2021    0.7758 C   0  0  0  0  0
    3.1195    0.4023   -0.6072 C   0  0  0  0  0
    3.5090    1.8327   -0.6308 C   0  0  0  0  0
    2.8123    3.0242   -0.5744 C   0  0  0  0  0
    3.8312    4.0294   -0.6479 C   0  0  0  0  0
    5.0378    3.4433   -0.7386 N   0  0  0  0  0
    4.8310    2.0885   -0.7510 O   0  0  0  0  0
    3.7362    5.4924   -0.5416 C   0  0  0  0  0
    2.8342    6.0524    0.3822 C   0  0  0  0  0
    2.7644    7.4362    0.5791 C   0  0  0  0  0
    3.6103    8.2858   -0.1258 C   0  0  0  0  0
    4.5044    7.7542   -1.0512 C   0  0  0  0  0
    4.5595    6.3701   -1.2746 C   0  0  0  0  0
    5.6517    5.8508   -2.5171 Cl  0  0  0  0  0
    1.3733    3.0883   -0.3956 C   0  0  0  0  0
    0.8694    2.4470    0.5257 O   0  0  0  0  0
    0.5852    3.9041   -1.2301 N   0  0  0  0  0
   -0.8240    4.0566   -0.8303 C   0  0  0  0  0
   -1.0111    5.0733    0.2868 C   0  0  0  0  0
    0.9661    4.4173   -2.5110 C   0  0  0  0  0
    1.8437    3.7253   -3.3571 C   0  0  0  0  0
    2.1894    4.2354   -4.6141 C   0  0  0  0  0
    1.6436    5.4372   -5.0490 C   0  0  0  0  0
    0.7510    6.1293   -4.2396 C   0  0  0  0  0
    0.4133    5.6198   -2.9811 C   0  0  0  0  0
    2.0578    6.0596   -6.5966 Cl  0  0  0  0  0
    2.9984   -1.2571    0.7662 H   0  0  0  0  0
    2.6692    0.3158    1.5149 H   0  0  0  0  0
    4.3312   -0.1397    1.1093 H   0  0  0  0  0
    2.0780    0.2908   -0.9291 H   0  0  0  0  0
    3.7299   -0.1549   -1.3276 H   0  0  0  0  0
    2.1894    5.4194    0.9879 H   0  0  0  0  0
    2.0628    7.8479    1.3012 H   0  0  0  0  0
    3.5778    9.3594    0.0446 H   0  0  0  0  0
    5.1650    8.4238   -1.5989 H   0  0  0  0  0
   -1.1973    3.0832   -0.4873 H   0  0  0  0  0
   -1.4490    4.3168   -1.6924 H   0  0  0  0  0
   -0.4608    4.7829    1.1872 H   0  0  0  0  0
   -2.0705    5.1520    0.5500 H   0  0  0  0  0
   -0.6585    6.0646   -0.0133 H   0  0  0  0  0
    2.2468    2.7527   -3.0920 H   0  0  0  0  0
    2.8757    3.6802   -5.2485 H   0  0  0  0  0
    0.3142    7.0659   -4.5763 H   0  0  0  0  0
   -0.2705    6.2014   -2.3696 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  3  1  0  0  0
  2 30  1  0  0  0
  2 31  1  0  0  0
  3  7  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4 15  1  0  0  0
  5  6  2  0  0  0
  5  8  1  0  0  0
  6  7  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 32  1  0  0  0
 10 11  2  0  0  0
 10 33  1  0  0  0
 11 12  1  0  0  0
 11 34  1  0  0  0
 12 13  2  0  0  0
 12 35  1  0  0  0
 13 14  1  0  0  0
 15 17  1  0  0  0
 15 16  2  0  0  0
 17 20  1  0  0  0
 17 18  1  0  0  0
 18 19  1  0  0  0
 18 36  1  0  0  0
 18 37  1  0  0  0
 19 38  1  0  0  0
 19 39  1  0  0  0
 19 40  1  0  0  0
 20 21  2  0  0  0
 20 25  1  0  0  0
 21 22  1  0  0  0
 21 41  1  0  0  0
 22 23  2  0  0  0
 22 42  1  0  0  0
 23 24  1  0  0  0
 23 26  1  0  0  0
 24 25  2  0  0  0
 24 43  1  0  0  0
 25 44  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL605367

>  <PubChem CID>
46232696

>  <Formula>
C20H18Cl2N2O2

>  <Molecular Weight>
389.276000

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

>  <XlogP>
5.5

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)N(CC)C3=CC=C(C=C3)Cl

>  <Isomeric SMILES>
CCC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)N(CC)C3=CC=C(C=C3)Cl

>  <InChI Std. ID>
InChI=1S/C20H18Cl2N2O2/c1-3-17-18(19(23-26-17)15-7-5-6-8-16(15)22)20(25)24(4-2)14-11-9-13(21)10-12-14/h5-12H,3-4H2,1-2H3

>  <InChI Key>
CDFUXZCJVGNQRP-UHFFFAOYSA-N

