
 MLS001090560

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  3 17  1  0  0  0
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M  END

>  <Chemical Name>
MLS001090560

>  <PubChem CID>
26411173

>  <Formula>
C22H25N3O5

>  <Molecular Weight>
411.458000

>  <IUPAC Name>
[4-[[2-(2,3-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone

>  <XlogP>
2.5

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1=C(N=C(O1)C2=C(C(=CC=C2)OC)OC)CN3CCN(CC3)C(=O)C4=CC=CO4

>  <Isomeric SMILES>
CC1=C(N=C(O1)C2=C(C(=CC=C2)OC)OC)CN3CCN(CC3)C(=O)C4=CC=CO4

>  <InChI Std. ID>
InChI=1S/C22H25N3O5/c1-15-17(23-21(30-15)16-6-4-7-18(27-2)20(16)28-3)14-24-9-11-25(12-10-24)22(26)19-8-5-13-29-19/h4-8,13H,9-12,14H2,1-3H3

>  <InChI Key>
DJAJWTIOJQGCHA-UHFFFAOYSA-N

