
 CHEMBL361312

 46 48  0  0  0  0  0  0  0  0999 V2000
    3.4455    3.7488   -5.1869 C   0  0  0  0  0
    4.6070    2.8675   -5.3443 N   0  0  0  0  0
    4.8317    2.6142   -6.7710 C   0  0  0  0  0
    5.8210    3.4540   -4.7456 C   0  0  0  0  0
    5.7658    3.4961   -3.2127 C   0  0  0  0  0
    7.0458    4.0773   -2.6141 C   0  0  0  0  0
    7.1694    5.4294   -3.0591 O   0  0  0  0  0
    7.9852    6.2451   -2.3298 C   0  0  0  0  0
    7.7458    7.6091   -2.4894 C   0  0  0  0  0
    8.4982    8.5517   -1.7828 C   0  0  0  0  0
    9.5168    8.1463   -0.9105 C   0  0  0  0  0
    9.7663    6.7710   -0.7804 C   0  0  0  0  0
    9.0101    5.8257   -1.4868 C   0  0  0  0  0
   10.2899    9.1349   -0.1678 C   0  0  0  0  0
   10.2775   10.5072   -0.0681 C   0  0  0  0  0
   11.3207   10.8325    0.8420 C   0  0  0  0  0
   11.9168    9.7066    1.2673 N   0  0  0  0  0
   11.2762    8.6601    0.6410 O   0  0  0  0  0
   11.7584   12.1554    1.3021 C   0  0  0  0  0
   12.8526   12.2796    2.1756 C   0  0  0  0  0
   13.2844   13.5350    2.6155 C   0  0  0  0  0
   12.6261   14.6821    2.1858 C   0  0  0  0  0
   11.5381   14.5836    1.3220 C   0  0  0  0  0
   11.1064   13.3261    0.8828 C   0  0  0  0  0
   13.1561   16.2275    2.7217 Cl  0  0  0  0  0
    3.1688    3.8606   -4.1338 H   0  0  0  0  0
    2.5660    3.3199   -5.6821 H   0  0  0  0  0
    3.6220    4.7457   -5.6086 H   0  0  0  0  0
    3.9471    2.1538   -7.2259 H   0  0  0  0  0
    5.6567    1.9071   -6.9114 H   0  0  0  0  0
    5.0649    3.5326   -7.3225 H   0  0  0  0  0
    6.0050    4.4550   -5.1553 H   0  0  0  0  0
    6.6854    2.8354   -5.0205 H   0  0  0  0  0
    5.6070    2.4865   -2.8166 H   0  0  0  0  0
    4.9277    4.1207   -2.8841 H   0  0  0  0  0
    7.9188    3.4999   -2.9391 H   0  0  0  0  0
    6.9623    4.0325   -1.5213 H   0  0  0  0  0
    6.9563    7.9406   -3.1598 H   0  0  0  0  0
    8.2685    9.6037   -1.9273 H   0  0  0  0  0
   10.5570    6.4126   -0.1230 H   0  0  0  0  0
    9.2519    4.7749   -1.3625 H   0  0  0  0  0
    9.6117   11.1795   -0.5850 H   0  0  0  0  0
   13.3844   11.3947    2.5232 H   0  0  0  0  0
   14.1349   13.6047    3.2893 H   0  0  0  0  0
   11.0215   15.4793    0.9858 H   0  0  0  0  0
   10.2537   13.2871    0.2096 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 29  1  0  0  0
  3 30  1  0  0  0
  3 31  1  0  0  0
  4  5  1  0  0  0
  4 32  1  0  0  0
  4 33  1  0  0  0
  5  6  1  0  0  0
  5 34  1  0  0  0
  5 35  1  0  0  0
  6  7  1  0  0  0
  6 36  1  0  0  0
  6 37  1  0  0  0
  7  8  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 38  1  0  0  0
 10 11  2  0  0  0
 10 39  1  0  0  0
 11 12  1  0  0  0
 11 14  1  0  0  0
 12 13  2  0  0  0
 12 40  1  0  0  0
 13 41  1  0  0  0
 14 15  2  0  0  0
 14 18  1  0  0  0
 15 16  1  0  0  0
 15 42  1  0  0  0
 16 17  2  0  0  0
 16 19  1  0  0  0
 17 18  1  0  0  0
 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
 20 43  1  0  0  0
 21 22  2  0  0  0
 21 44  1  0  0  0
 22 23  1  0  0  0
 22 25  1  0  0  0
 23 24  2  0  0  0
 23 45  1  0  0  0
 24 46  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL361312

>  <PubChem CID>
10291817

>  <Formula>
C20H21ClN2O2

>  <Molecular Weight>
356.850000

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

>  <XlogP>
4.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CN(C)CCCOC1=CC=C(C=C1)C2=CC(=NO2)C3=CC=C(C=C3)Cl

>  <Isomeric SMILES>
CN(C)CCCOC1=CC=C(C=C1)C2=CC(=NO2)C3=CC=C(C=C3)Cl

>  <InChI Std. ID>
InChI=1S/C20H21ClN2O2/c1-23(2)12-3-13-24-18-10-6-16(7-11-18)20-14-19(22-25-20)15-4-8-17(21)9-5-15/h4-11,14H,3,12-13H2,1-2H3

>  <InChI Key>
CHQJWHNOXDJENO-UHFFFAOYSA-N

