
 CHEMBL3132970

 47 49  0  0  0  0  0  0  0  0999 V2000
    2.8556   -0.1614    1.2441 C   0  0  0  0  0
    2.7005    0.4186   -0.1530 C   0  0  0  0  0
    3.1734    1.8239   -0.2158 C   0  0  0  0  0
    2.5594    3.0551   -0.0721 C   0  0  0  0  0
    3.6374    3.9907   -0.1824 C   0  0  0  0  0
    4.7801    3.3391   -0.4694 N   0  0  0  0  0
    4.4885    1.9993   -0.4756 O   0  0  0  0  0
    3.6645    5.4492   -0.0424 C   0  0  0  0  0
    2.7876    6.1299    0.8100 C   0  0  0  0  0
    2.8316    7.5263    0.9182 C   0  0  0  0  0
    3.7881    8.2479    0.2037 C   0  0  0  0  0
    4.6800    7.5825   -0.6356 C   0  0  0  0  0
    4.6129    6.1954   -0.7624 C   0  0  0  0  0
    1.9043    8.0659    1.7693 O   0  0  0  0  0
    1.6850    9.4676    1.6501 C   0  0  0  0  0
    1.1483    3.1789    0.2280 C   0  0  0  0  0
    0.7068    2.5159    1.1702 O   0  0  0  0  0
    0.2888    4.0124   -0.5178 N   0  0  0  0  0
   -1.0927    4.0808   -0.0290 C   0  0  0  0  0
    0.5939    4.7844   -1.6874 C   0  0  0  0  0
    1.5718    4.4539   -2.6220 C   0  0  0  0  0
    1.8878    5.1988   -3.7169 N   0  0  0  0  0
    1.1927    6.3488   -3.9324 C   0  0  0  0  0
    0.1521    6.7277   -3.0906 C   0  0  0  0  0
   -0.1411    5.9427   -1.9743 C   0  0  0  0  0
    1.5348    7.2417   -5.1189 C   0  0  0  0  0
    0.5596    7.2331   -6.0744 F   0  0  0  0  0
    1.6689    8.5544   -4.7550 F   0  0  0  0  0
    2.6914    6.9183   -5.7585 F   0  0  0  0  0
    2.4961   -1.1951    1.2675 H   0  0  0  0  0
    2.2845    0.4117    1.9812 H   0  0  0  0  0
    3.9042   -0.1580    1.5594 H   0  0  0  0  0
    1.6493    0.3634   -0.4576 H   0  0  0  0  0
    3.2654   -0.1935   -0.8656 H   0  0  0  0  0
    2.0631    5.5900    1.4137 H   0  0  0  0  0
    3.8794    9.3257    0.2904 H   0  0  0  0  0
    5.4329    8.1392   -1.1870 H   0  0  0  0  0
    5.3180    5.6972   -1.4267 H   0  0  0  0  0
    0.8444    9.7300    2.3029 H   0  0  0  0  0
    1.4087    9.7376    0.6273 H   0  0  0  0  0
    2.5581   10.0361    1.9871 H   0  0  0  0  0
   -1.3624    3.2030    0.5655 H   0  0  0  0  0
   -1.7936    4.1114   -0.8705 H   0  0  0  0  0
   -1.2049    4.9685    0.6002 H   0  0  0  0  0
    2.1434    3.5336   -2.5679 H   0  0  0  0  0
   -0.4172    7.6334   -3.2843 H   0  0  0  0  0
   -0.9360    6.2890   -1.3180 H   0  0  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2  3  1  0  0  0
  2 33  1  0  0  0
  2 34  1  0  0  0
  3  7  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4 16  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 35  1  0  0  0
 10 11  2  0  0  0
 10 14  1  0  0  0
 11 12  1  0  0  0
 11 36  1  0  0  0
 12 13  2  0  0  0
 12 37  1  0  0  0
 13 38  1  0  0  0
 14 15  1  0  0  0
 15 39  1  0  0  0
 15 40  1  0  0  0
 15 41  1  0  0  0
 16 18  1  0  0  0
 16 17  2  0  0  0
 18 20  1  0  0  0
 18 19  1  0  0  0
 19 42  1  0  0  0
 19 43  1  0  0  0
 19 44  1  0  0  0
 20 21  2  0  0  0
 20 25  1  0  0  0
 21 22  1  0  0  0
 21 45  1  0  0  0
 22 23  2  0  0  0
 23 24  1  0  0  0
 23 26  1  0  0  0
 24 25  2  0  0  0
 24 46  1  0  0  0
 25 47  1  0  0  0
 26 29  1  0  0  0
 26 28  1  0  0  0
 26 27  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3132970

>  <PubChem CID>
76336516

>  <Formula>
C20H18F3N3O3

>  <Molecular Weight>
405.377000

>  <IUPAC Name>
5-ethyl-3-(3-methoxyphenyl)-N-methyl-N-[6-(trifluoromethyl)pyridin-3-yl]-1,2-oxazole-4-carboxamide

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CCC1=C(C(=NO1)C2=CC(=CC=C2)OC)C(=O)N(C)C3=CN=C(C=C3)C(F)(F)F

>  <Isomeric SMILES>
CCC1=C(C(=NO1)C2=CC(=CC=C2)OC)C(=O)N(C)C3=CN=C(C=C3)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C20H18F3N3O3/c1-4-15-17(18(25-29-15)12-6-5-7-14(10-12)28-3)19(27)26(2)13-8-9-16(24-11-13)20(21,22)23/h5-11H,4H2,1-3H3

>  <InChI Key>
DSAASYWIPKIPEP-UHFFFAOYSA-N

