
 CHEMBL3186239

 52 54  0  0  0  0  0  0  0  0999 V2000
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    1.6299    2.2481    0.3534 C   0  0  0  0  0
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    3.1520   -1.0170   -3.4820 C   0  0  0  0  0
    1.8788   -0.8935   -4.0207 C   0  0  0  0  0
    0.8451   -0.5320   -3.1745 C   0  0  0  0  0
    0.9996   -0.2937   -1.8527 N   0  0  0  0  0
    4.0919    1.6582    0.4628 C   0  0  0  0  0
    4.9816    0.8458    0.1922 O   0  0  0  0  0
    4.4807    3.0378    0.7898 C   0  0  0  0  0
    3.8324    3.8169    1.6714 N   0  0  0  0  0
    4.5335    5.0056    1.7291 O   0  0  0  0  0
    5.6104    4.9410    0.9033 C   0  0  0  0  0
    5.6347    3.7094    0.2997 C   0  0  0  0  0
    6.4799    6.1375    0.8433 C   0  0  0  0  0
    6.0712    6.9475   -0.2648 O   0  0  0  0  0
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    4.2525    8.0163   -1.2592 C   0  0  0  0  0
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    3.8896    9.8613    3.3507 O   0  0  0  0  0
    1.6158   10.1556    2.6753 C   0  0  0  0  0
    0.7700    3.7564   -0.9265 H   0  0  0  0  0
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    1.6816    2.9230    1.2101 H   0  0  0  0  0
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    7.5076    5.8193    0.6331 H   0  0  0  0  0
    6.5239    6.6819    1.7901 H   0  0  0  0  0
    4.5700    7.5784   -2.2028 H   0  0  0  0  0
    2.5522    9.0091   -2.1323 H   0  0  0  0  0
    1.8110   10.0097   -0.0091 H   0  0  0  0  0
    5.1505    8.2044    2.0200 H   0  0  0  0  0
    1.3634   11.0078    2.0406 H   0  0  0  0  0
    1.4811   10.4558    3.7193 H   0  0  0  0  0
    0.9491    9.3114    2.4789 H   0  0  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
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  1 32  1  0  0  0
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  2 34  1  0  0  0
  3 12  1  0  0  0
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  5 38  1  0  0  0
  6  7  2  0  0  0
  6 11  1  0  0  0
  7  8  1  0  0  0
  7 39  1  0  0  0
  8  9  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3186239

>  <PubChem CID>
71737673

>  <Formula>
C22H23N3O4

>  <Molecular Weight>
393.443000

>  <IUPAC Name>
5-[(3-acetylphenoxy)methyl]-N-ethyl-N-(1-pyridin-2-ylethyl)-1,2-oxazole-3-carboxamide

>  <XlogP>
2.6

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCN(C(C)C1=CC=CC=N1)C(=O)C2=NOC(=C2)COC3=CC=CC(=C3)C(=O)C

>  <Isomeric SMILES>
CCN(C(C)C1=CC=CC=N1)C(=O)C2=NOC(=C2)COC3=CC=CC(=C3)C(=O)C

>  <InChI Std. ID>
InChI=1S/C22H23N3O4/c1-4-25(15(2)20-10-5-6-11-23-20)22(27)21-13-19(29-24-21)14-28-18-9-7-8-17(12-18)16(3)26/h5-13,15H,4,14H2,1-3H3

>  <InChI Key>
QYHCUXUKPBKCJX-UHFFFAOYSA-N

