
 MLS-0437152.0001

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M  END

>  <Chemical Name>
MLS-0437152.0001

>  <PubChem CID>
23612544

>  <Formula>
C21H20FN3O3

>  <Molecular Weight>
381.407000

>  <IUPAC Name>
3-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-5-phenyl-1,3,4-oxadiazol-2-one

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CN(CCC1N2C(=O)OC(=N2)C3=CC=CC=C3)C(=O)CC4=CC=C(C=C4)F

>  <Isomeric SMILES>
C1CN(CCC1N2C(=O)OC(=N2)C3=CC=CC=C3)C(=O)CC4=CC=C(C=C4)F

>  <InChI Std. ID>
InChI=1S/C21H20FN3O3/c22-17-8-6-15(7-9-17)14-19(26)24-12-10-18(11-13-24)25-21(27)28-20(23-25)16-4-2-1-3-5-16/h1-9,18H,10-14H2

>  <InChI Key>
DUVOCISEPNTRPD-UHFFFAOYSA-N

