
 MLS000732847

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    6.5849    3.3640    6.6662 H   0  0  0  0  0
    5.3221    2.4058    5.9388 H   0  0  0  0  0
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M  END

>  <Chemical Name>
MLS000732847

>  <PubChem CID>
16190638

>  <Formula>
C23H25N3O2

>  <Molecular Weight>
375.472000

>  <IUPAC Name>
3-ethyl-4-[[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-2-one

>  <XlogP>
3.900

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCC1C(=O)NCCN1CC2=C(OC(=N2)C3=CC=C(C=C3)C4=CC=CC=C4)C

>  <Isomeric SMILES>
CCC1C(=O)NCCN1CC2=C(OC(=N2)C3=CC=C(C=C3)C4=CC=CC=C4)C

>  <InChI Std. ID>
InChI=1S/C23H25N3O2/c1-3-21-22(27)24-13-14-26(21)15-20-16(2)28-23(25-20)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-12,21H,3,13-15H2,1-2H3,(H,24,27)

>  <InChI Key>
FUSSCZQVVQIIPW-UHFFFAOYSA-N

