
 SCHEMBL3620932

 31 32  0  0  0  0  0  0  0  0999 V2000
    1.6069    0.4713    0.7648 C   0  0  0  0  0
    2.6025    0.7855   -0.3593 C   0  0  0  0  0
    2.2551   -0.0289   -1.6240 C   0  0  0  0  0
    3.2706    0.1307   -2.7571 C   0  0  0  0  0
    2.8940   -0.6628   -3.9953 C   0  0  0  0  0
    4.1433   -1.1126   -4.4991 O   0  0  0  0  0
    4.9705   -1.0331   -3.4321 C   0  0  0  0  0
    4.5876   -0.4113   -2.3704 N   0  0  0  0  0
    6.1582   -1.6333   -3.6281 N   0  0  0  0  0
    2.6623    2.2821   -0.6216 C   0  0  0  0  0
    1.5378    3.0082   -1.0419 C   0  0  0  0  0
    1.6300    4.3790   -1.2935 C   0  0  0  0  0
    2.8446    5.0405   -1.1283 C   0  0  0  0  0
    3.9693    4.3326   -0.7120 C   0  0  0  0  0
    3.8795    2.9627   -0.4615 C   0  0  0  0  0
    1.8401    1.0463    1.6684 H   0  0  0  0  0
    1.6454   -0.5919    1.0266 H   0  0  0  0  0
    0.5761    0.7045    0.4769 H   0  0  0  0  0
    3.5860    0.4527   -0.0018 H   0  0  0  0  0
    1.2609    0.2540   -1.9932 H   0  0  0  0  0
    2.1929   -1.0898   -1.3464 H   0  0  0  0  0
    3.3943    1.1864   -3.0270 H   0  0  0  0  0
    2.3895   -0.0411   -4.7409 H   0  0  0  0  0
    2.2677   -1.5357   -3.7807 H   0  0  0  0  0
    6.8813   -1.2969   -3.0060 H   0  0  0  0  0
    6.4303   -1.7007   -4.5997 H   0  0  0  0  0
    0.5799    2.5130   -1.1787 H   0  0  0  0  0
    0.7519    4.9304   -1.6190 H   0  0  0  0  0
    2.9155    6.1067   -1.3246 H   0  0  0  0  0
    4.9193    4.8444   -0.5847 H   0  0  0  0  0
    4.7709    2.4229   -0.1482 H   0  0  0  0  0
  1  2  1  0  0  0
  1 16  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  2 10  1  0  0  0
  2  3  1  0  0  0
  2 19  1  0  0  0
  3  4  1  0  0  0
  3 20  1  0  0  0
  3 21  1  0  0  0
  4  5  1  0  0  0
  4  8  1  0  0  0
  4 22  1  0  0  0
  5  6  1  0  0  0
  5 23  1  0  0  0
  5 24  1  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7  9  1  0  0  0
  9 25  1  0  0  0
  9 26  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 11 27  1  0  0  0
 12 13  2  0  0  0
 12 28  1  0  0  0
 13 14  1  0  0  0
 13 29  1  0  0  0
 14 15  2  0  0  0
 14 30  1  0  0  0
 15 31  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL3620932

>  <PubChem CID>
59323854

>  <Formula>
C12H16N2O

>  <Molecular Weight>
204.273000

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

>  <XlogP>
1.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC(CC1COC(=N1)N)C2=CC=CC=C2

>  <Isomeric SMILES>
C[C@@H](C[C@H]1COC(=N1)N)C2=CC=CC=C2

>  <InChI Std. ID>
InChI=1S/C12H16N2O/c1-9(10-5-3-2-4-6-10)7-11-8-15-12(13)14-11/h2-6,9,11H,7-8H2,1H3,(H2,13,14)/t9-,11-/m0/s1

>  <InChI Key>
AGHKCLYLZRRYHN-ONGXEEELSA-N

