
 CHEMBL601440

 38 40  0  0  0  0  0  0  0  0999 V2000
    1.4962   -0.0524   -0.1608 C   0  0  0  0  0
    2.9562    0.0843    0.0160 C   0  0  0  0  0
    3.8356    1.1464   -0.0487 C   0  0  0  0  0
    5.1072    0.5655    0.2588 C   0  0  0  0  0
    4.9738   -0.7656    0.4130 N   0  0  0  0  0
    3.6394   -1.0546    0.2733 O   0  0  0  0  0
    6.4282    1.1781    0.4443 C   0  0  0  0  0
    6.5781    2.4949    0.8925 C   0  0  0  0  0
    7.8518    3.0314    1.0662 C   0  0  0  0  0
    8.9947    2.2771    0.8304 C   0  0  0  0  0
    8.8642    0.9582    0.4088 C   0  0  0  0  0
    7.5903    0.4158    0.2143 C   0  0  0  0  0
    7.9773    4.3003    1.4766 F   0  0  0  0  0
    3.4085    2.5099   -0.3109 C   0  0  0  0  0
    2.4095    2.9410    0.2667 O   0  0  0  0  0
    4.1719    3.3275   -1.1649 N   0  0  0  0  0
    3.9183    4.7654   -1.0537 C   0  0  0  0  0
    4.8876    2.8753   -2.3256 C   0  0  0  0  0
    4.5727    1.6689   -2.9698 C   0  0  0  0  0
    5.2514    1.2618   -4.1261 C   0  0  0  0  0
    6.2478    2.0655   -4.6661 C   0  0  0  0  0
    6.5702    3.2717   -4.0586 C   0  0  0  0  0
    5.8935    3.6721   -2.8996 C   0  0  0  0  0
    7.0698    1.5752   -6.0935 Cl  0  0  0  0  0
    1.1910   -1.1032   -0.1614 H   0  0  0  0  0
    1.1848    0.3887   -1.1129 H   0  0  0  0  0
    0.9631    0.4561    0.6477 H   0  0  0  0  0
    5.7276    3.1218    1.1331 H   0  0  0  0  0
    9.9753    2.7159    0.9867 H   0  0  0  0  0
    9.7468    0.3467    0.2365 H   0  0  0  0  0
    7.5107   -0.6214   -0.1103 H   0  0  0  0  0
    3.4141    5.0111   -0.1144 H   0  0  0  0  0
    3.2738    5.0770   -1.8827 H   0  0  0  0  0
    4.8508    5.3332   -1.0601 H   0  0  0  0  0
    3.7615    1.0321   -2.6314 H   0  0  0  0  0
    4.9817    0.3234   -4.6045 H   0  0  0  0  0
    7.3457    3.9090   -4.4758 H   0  0  0  0  0
    6.2014    4.6121   -2.4513 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  6  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 14  1  0  0  0
  4  5  2  0  0  0
  4  7  1  0  0  0
  5  6  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 28  1  0  0  0
  9 10  2  0  0  0
  9 13  1  0  0  0
 10 11  1  0  0  0
 10 29  1  0  0  0
 11 12  2  0  0  0
 11 30  1  0  0  0
 12 31  1  0  0  0
 14 16  1  0  0  0
 14 15  2  0  0  0
 16 18  1  0  0  0
 16 17  1  0  0  0
 17 32  1  0  0  0
 17 33  1  0  0  0
 17 34  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 24  1  0  0  0
 22 23  2  0  0  0
 22 37  1  0  0  0
 23 38  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL601440

>  <PubChem CID>
46232530

>  <Formula>
C18H14ClFN2O2

>  <Molecular Weight>
344.770000

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

>  <XlogP>
4.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=C(C(=NO1)C2=CC(=CC=C2)F)C(=O)N(C)C3=CC=C(C=C3)Cl

>  <Isomeric SMILES>
CC1=C(C(=NO1)C2=CC(=CC=C2)F)C(=O)N(C)C3=CC=C(C=C3)Cl

>  <InChI Std. ID>
InChI=1S/C18H14ClFN2O2/c1-11-16(17(21-24-11)12-4-3-5-14(20)10-12)18(23)22(2)15-8-6-13(19)7-9-15/h3-10H,1-2H3

>  <InChI Key>
DMPXXMYUUVEGKT-UHFFFAOYSA-N

