
 SCHEMBL3615877

 28 29  0  0  0  0  0  0  0  0999 V2000
    1.7449   -1.4194    0.6347 C   0  0  0  0  0
    0.2532   -1.3077    0.8967 C   0  0  0  0  0
    0.0324   -2.1371    2.0959 N   0  0  0  0  0
    1.2198   -2.2874    2.5748 C   0  0  0  0  0
    2.2848   -1.8186    1.8864 O   0  0  0  0  0
    1.5535   -2.9217    3.7132 N   0  0  0  0  0
   -0.5912   -1.8115   -0.2737 C   0  0  0  0  0
   -2.1028   -1.7140   -0.0353 C   0  0  0  0  0
   -2.6274   -0.2980   -0.0463 C   0  0  0  0  0
   -2.7849    0.4095    1.1539 C   0  0  0  0  0
   -3.2627    1.7215    1.1452 C   0  0  0  0  0
   -3.5888    2.3304   -0.0643 C   0  0  0  0  0
   -3.4370    1.6406   -1.2651 C   0  0  0  0  0
   -2.9537    0.3302   -1.2565 C   0  0  0  0  0
   -4.1824    3.9458   -0.0761 Cl  0  0  0  0  0
    2.0006   -2.1772   -0.1139 H   0  0  0  0  0
    2.1779   -0.4621    0.3290 H   0  0  0  0  0
    0.0041   -0.2680    1.1383 H   0  0  0  0  0
    2.4973   -3.2845    3.7310 H   0  0  0  0  0
    0.8400   -3.5537    4.0508 H   0  0  0  0  0
   -0.3505   -2.8664   -0.4600 H   0  0  0  0  0
   -0.3203   -1.2599   -1.1826 H   0  0  0  0  0
   -2.3825   -2.2088    0.9029 H   0  0  0  0  0
   -2.6202   -2.2768   -0.8236 H   0  0  0  0  0
   -2.5291   -0.0599    2.1027 H   0  0  0  0  0
   -3.3774    2.2586    2.0825 H   0  0  0  0  0
   -3.6939    2.1146   -2.2083 H   0  0  0  0  0
   -2.8407   -0.2010   -2.1991 H   0  0  0  0  0
  1  5  1  0  0  0
  1  2  1  0  0  0
  1 16  1  0  0  0
  1 17  1  0  0  0
  2  3  1  0  0  0
  2  7  1  0  0  0
  2 18  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4  6  1  0  0  0
  6 19  1  0  0  0
  6 20  1  0  0  0
  7  8  1  0  0  0
  7 21  1  0  0  0
  7 22  1  0  0  0
  8  9  1  0  0  0
  8 23  1  0  0  0
  8 24  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 10 25  1  0  0  0
 11 12  2  0  0  0
 11 26  1  0  0  0
 12 13  1  0  0  0
 12 15  1  0  0  0
 13 14  2  0  0  0
 13 27  1  0  0  0
 14 28  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL3615877

>  <PubChem CID>
59323654

>  <Formula>
C11H13ClN2O

>  <Molecular Weight>
224.688000

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

>  <XlogP>
2.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

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

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

>  <InChI Std. ID>
InChI=1S/C11H13ClN2O/c12-9-4-1-8(2-5-9)3-6-10-7-15-11(13)14-10/h1-2,4-5,10H,3,6-7H2,(H2,13,14)/t10-/m0/s1

>  <InChI Key>
ARTOGKRMVCGXGP-JTQLQIEISA-N

