
 SCHEMBL1833658

 29 30  0  0  0  0  0  0  0  0999 V2000
    3.0563   -1.9322   -0.3031 C   0  0  0  0  0
    1.6404   -2.0016   -0.8459 C   0  0  0  0  0
    1.2653   -0.5952   -1.0727 N   0  0  0  0  0
    2.3927    0.0255   -1.0256 C   0  0  0  0  0
    3.5185   -0.6506   -0.7042 O   0  0  0  0  0
    2.5966    1.3399   -1.2282 N   0  0  0  0  0
    0.6729   -2.6700    0.1212 C   0  0  0  0  0
   -0.7401   -2.7657   -0.4492 C   0  0  0  0  0
   -1.5427   -3.4611    0.5085 O   0  0  0  0  0
   -2.8640   -3.6369    0.2022 C   0  0  0  0  0
   -3.6114   -4.2787    1.1935 C   0  0  0  0  0
   -4.9729   -4.5264    1.0108 C   0  0  0  0  0
   -5.5965   -4.1330   -0.1706 C   0  0  0  0  0
   -4.8579   -3.4923   -1.1641 C   0  0  0  0  0
   -3.4940   -3.2435   -0.9793 C   0  0  0  0  0
    3.1083   -1.9966    0.7896 H   0  0  0  0  0
    3.6957   -2.7105   -0.7315 H   0  0  0  0  0
    1.6331   -2.5256   -1.8101 H   0  0  0  0  0
    3.4174    1.7117   -0.7705 H   0  0  0  0  0
    1.7590    1.8987   -1.1290 H   0  0  0  0  0
    0.6349   -2.1234    1.0726 H   0  0  0  0  0
    1.0295   -3.6781    0.3682 H   0  0  0  0  0
   -0.7169   -3.3252   -1.3921 H   0  0  0  0  0
   -1.1449   -1.7607   -0.6167 H   0  0  0  0  0
   -3.1272   -4.5863    2.1168 H   0  0  0  0  0
   -5.5428   -5.0248    1.7901 H   0  0  0  0  0
   -6.6561   -4.3245   -0.3171 H   0  0  0  0  0
   -5.3434   -3.1843   -2.0864 H   0  0  0  0  0
   -2.9545   -2.7418   -1.7756 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  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 11 25  1  0  0  0
 12 13  2  0  0  0
 12 26  1  0  0  0
 13 14  1  0  0  0
 13 27  1  0  0  0
 14 15  2  0  0  0
 14 28  1  0  0  0
 15 29  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL1833658

>  <PubChem CID>
59173125

>  <Formula>
C11H14N2O2

>  <Molecular Weight>
206.245000

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

>  <XlogP>
1.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1C(N=C(O1)N)CCOC2=CC=CC=C2

>  <Isomeric SMILES>
C1[C@@H](N=C(O1)N)CCOC2=CC=CC=C2

>  <InChI Std. ID>
InChI=1S/C11H14N2O2/c12-11-13-9(8-15-11)6-7-14-10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H2,12,13)/t9-/m0/s1

>  <InChI Key>
AHFFIHVHUVGESC-VIFPVBQESA-N

