
 CHEMBL184583

 40 42  0  0  0  0  0  0  0  0999 V2000
    2.4312    3.4654    0.3557 C   0  0  0  0  0
    2.7343    4.4766    1.3670 N   0  0  0  0  0
    3.2733    3.8518    2.5733 C   0  0  0  0  0
    3.6656    5.4836    0.8391 C   0  0  0  0  0
    4.9188    4.9163    0.4580 O   0  0  0  0  0
    5.8364    5.7504   -0.1177 C   0  0  0  0  0
    5.7431    7.1386   -0.2085 C   0  0  0  0  0
    6.7587    7.8669   -0.8320 C   0  0  0  0  0
    7.8688    7.2109   -1.3669 C   0  0  0  0  0
    7.9830    5.8179   -1.2748 C   0  0  0  0  0
    6.9588    5.0992   -0.6425 C   0  0  0  0  0
    9.1433    5.1280   -1.8347 C   0  0  0  0  0
    9.8150    5.6169   -2.8893 N   0  0  0  0  0
   10.8201    4.7117   -3.1636 O   0  0  0  0  0
   10.7745    3.6854   -2.2702 C   0  0  0  0  0
    9.7307    3.9078   -1.4043 C   0  0  0  0  0
   11.7919    2.6550   -2.4130 C   0  0  0  0  0
   12.3785    2.3858   -3.6600 C   0  0  0  0  0
   13.3511    1.3901   -3.7943 C   0  0  0  0  0
   13.7498    0.6579   -2.6792 C   0  0  0  0  0
   13.1810    0.9105   -1.4332 C   0  0  0  0  0
   12.2030    1.9021   -1.3025 C   0  0  0  0  0
   14.9498   -0.5633   -2.8404 Cl  0  0  0  0  0
    1.9994    3.9298   -0.5377 H   0  0  0  0  0
    1.6819    2.7608    0.7343 H   0  0  0  0  0
    3.3146    2.8910    0.0538 H   0  0  0  0  0
    2.5426    3.1568    3.0019 H   0  0  0  0  0
    3.4738    4.6066    3.3420 H   0  0  0  0  0
    4.1995    3.2972    2.3845 H   0  0  0  0  0
    3.8226    6.2481    1.6109 H   0  0  0  0  0
    3.1977    5.9732   -0.0254 H   0  0  0  0  0
    4.8987    7.6878    0.1949 H   0  0  0  0  0
    6.6859    8.9496   -0.9040 H   0  0  0  0  0
    8.6476    7.7966   -1.8527 H   0  0  0  0  0
    7.0058    4.0152   -0.5705 H   0  0  0  0  0
    9.4280    3.2801   -0.5804 H   0  0  0  0  0
   12.0759    2.9452   -4.5439 H   0  0  0  0  0
   13.7896    1.1938   -4.7691 H   0  0  0  0  0
   13.4950    0.3440   -0.5604 H   0  0  0  0  0
   11.7793    2.0894   -0.3180 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 34  1  0  0  0
 10 11  2  0  0  0
 10 12  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>
CHEMBL184583

>  <PubChem CID>
44393569

>  <Formula>
C18H17ClN2O2

>  <Molecular Weight>
328.796000

>  <IUPAC Name>
1-[3-[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=CC(=C1)C2=NOC(=C2)C3=CC=C(C=C3)Cl

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

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

>  <InChI Key>
BNGDPAYNSWPYMF-UHFFFAOYSA-N

