
 SCHEMBL2693507

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M  END

>  <Chemical Name>
SCHEMBL2693507

>  <PubChem CID>
56967476

>  <Formula>
C20H20N4O

>  <Molecular Weight>
332.407000

>  <IUPAC Name>
(4S)-4-[2-[4-(quinolin-8-ylamino)phenyl]ethyl]-4,5-dihydro-1,3-oxazol-2-amine

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1C(N=C(O1)N)CCC2=CC=C(C=C2)NC3=CC=CC4=C3N=CC=C4

>  <Isomeric SMILES>
C1[C@@H](N=C(O1)N)CCC2=CC=C(C=C2)NC3=CC=CC4=C3N=CC=C4

>  <InChI Std. ID>
InChI=1S/C20H20N4O/c21-20-24-17(13-25-20)11-8-14-6-9-16(10-7-14)23-18-5-1-3-15-4-2-12-22-19(15)18/h1-7,9-10,12,17,23H,8,11,13H2,(H2,21,24)/t17-/m0/s1

>  <InChI Key>
BBNGEBSZUMCRPX-KRWDZBQOSA-N

