
 SCHEMBL2693704

 40 42  0  0  0  0  0  0  0  0999 V2000
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   -0.6963   -1.1582    0.7645 C   0  0  0  0  0
   -0.8674   -1.7050    2.1219 N   0  0  0  0  0
    0.0706   -1.1340    2.7957 C   0  0  0  0  0
    0.9653   -0.3427    2.1633 O   0  0  0  0  0
    0.3075   -1.2653    4.1132 N   0  0  0  0  0
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   -2.7820   -4.8321   -3.5520 C   0  0  0  0  0
   -2.7629   -3.7762   -2.6338 C   0  0  0  0  0
   -2.3856   -7.1291   -4.1787 N   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL2693704

>  <PubChem CID>
56967418

>  <Formula>
C17H19N3O

>  <Molecular Weight>
281.359000

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

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1C(N=C(O1)N)CCC2=CC=C(C=C2)NC3=CC=CC=C3

>  <Isomeric SMILES>
C1[C@@H](N=C(O1)N)CCC2=CC=C(C=C2)NC3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C17H19N3O/c18-17-20-16(12-21-17)11-8-13-6-9-15(10-7-13)19-14-4-2-1-3-5-14/h1-7,9-10,16,19H,8,11-12H2,(H2,18,20)/t16-/m0/s1

>  <InChI Key>
AHRGYJSTDMRIOL-INIZCTEOSA-N

