
 CHEMBL183061

 40 42  0  0  0  0  0  0  0  0999 V2000
    2.6671    0.8252   -0.3482 C   0  0  0  0  0
    2.3408    2.1972    0.0392 N   0  0  0  0  0
    0.9015    2.3396    0.2492 C   0  0  0  0  0
    3.0697    2.5828    1.2561 C   0  0  0  0  0
    4.4957    2.5294    1.1116 O   0  0  0  0  0
    5.1060    3.6539    0.6276 C   0  0  0  0  0
    4.5188    4.5730   -0.2394 C   0  0  0  0  0
    5.2450    5.6802   -0.6921 C   0  0  0  0  0
    6.5730    5.8809   -0.2904 C   0  0  0  0  0
    7.1588    4.9478    0.5753 C   0  0  0  0  0
    6.4325    3.8371    1.0199 C   0  0  0  0  0
    7.3317    7.0314   -0.7794 C   0  0  0  0  0
    8.3633    7.5517   -0.0962 N   0  0  0  0  0
    8.8244    8.6185   -0.8420 O   0  0  0  0  0
    8.0876    8.7438   -1.9812 C   0  0  0  0  0
    7.1323    7.7556   -1.9851 C   0  0  0  0  0
    8.4510    9.8256   -2.8903 C   0  0  0  0  0
    7.7650    9.9900   -4.1054 C   0  0  0  0  0
    8.0992   11.0235   -4.9873 C   0  0  0  0  0
    9.1248   11.9058   -4.6617 C   0  0  0  0  0
    9.8185   11.7625   -3.4637 C   0  0  0  0  0
    9.4823   10.7275   -2.5834 C   0  0  0  0  0
    9.5354   13.1772   -5.7448 Cl  0  0  0  0  0
    3.7336    0.7233   -0.5754 H   0  0  0  0  0
    2.1302    0.5489   -1.2627 H   0  0  0  0  0
    2.4078    0.1009    0.4323 H   0  0  0  0  0
    0.3531    2.0943   -0.6669 H   0  0  0  0  0
    0.6502    3.3778    0.4934 H   0  0  0  0  0
    0.5326    1.6960    1.0558 H   0  0  0  0  0
    2.8192    1.8988    2.0775 H   0  0  0  0  0
    2.7694    3.5825    1.5998 H   0  0  0  0  0
    3.5022    4.4421   -0.5970 H   0  0  0  0  0
    4.7490    6.3805   -1.3591 H   0  0  0  0  0
    8.1896    5.0699    0.9030 H   0  0  0  0  0
    6.9053    3.1160    1.6820 H   0  0  0  0  0
    6.3951    7.5709   -2.7504 H   0  0  0  0  0
    6.9600    9.3149   -4.3866 H   0  0  0  0  0
    7.5554   11.1317   -5.9221 H   0  0  0  0  0
   10.6201   12.4493   -3.2050 H   0  0  0  0  0
   10.0390   10.6371   -1.6522 H   0  0  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 27  1  0  0  0
  3 28  1  0  0  0
  3 29  1  0  0  0
  4  5  1  0  0  0
  4 30  1  0  0  0
  4 31  1  0  0  0
  5  6  1  0  0  0
  6  7  2  0  0  0
  6 11  1  0  0  0
  7  8  1  0  0  0
  7 32  1  0  0  0
  8  9  2  0  0  0
  8 33  1  0  0  0
  9 10  1  0  0  0
  9 12  1  0  0  0
 10 11  2  0  0  0
 10 34  1  0  0  0
 11 35  1  0  0  0
 12 16  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 14 15  1  0  0  0
 15 16  2  0  0  0
 15 17  1  0  0  0
 16 36  1  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 18 37  1  0  0  0
 19 20  2  0  0  0
 19 38  1  0  0  0
 20 21  1  0  0  0
 20 23  1  0  0  0
 21 22  2  0  0  0
 21 39  1  0  0  0
 22 40  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL183061

>  <PubChem CID>
44393592

>  <Formula>
C18H17ClN2O2

>  <Molecular Weight>
328.796000

>  <IUPAC Name>
1-[4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]phenoxy]-N,N-dimethylmethanamine

>  <XlogP>
4.4

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CN(C)COC1=CC=C(C=C1)C2=NOC(=C2)C3=CC=C(C=C3)Cl

>  <Isomeric SMILES>
CN(C)COC1=CC=C(C=C1)C2=NOC(=C2)C3=CC=C(C=C3)Cl

>  <InChI Std. ID>
InChI=1S/C18H17ClN2O2/c1-21(2)12-22-16-9-5-13(6-10-16)17-11-18(23-20-17)14-3-7-15(19)8-4-14/h3-11H,12H2,1-2H3

>  <InChI Key>
FMZLMWMPLJEUSB-UHFFFAOYSA-N

