
 SCHEMBL3614884

 31 32  0  0  0  0  0  0  0  0999 V2000
    1.3800   -0.8990   -1.9006 C   0  0  0  0  0
    2.4519   -0.4069   -0.9741 C   0  0  0  0  0
    3.1946    0.7392   -1.2862 C   0  0  0  0  0
    4.2234    1.1827   -0.4419 C   0  0  0  0  0
    4.5013    0.4666    0.7281 C   0  0  0  0  0
    3.7747   -0.6824    1.0394 C   0  0  0  0  0
    2.7590   -1.1208    0.1896 C   0  0  0  0  0
    5.0029    2.4289   -0.7848 C   0  0  0  0  0
    4.3284    3.6870   -0.2306 C   0  0  0  0  0
    5.1143    4.9492   -0.5749 C   0  0  0  0  0
    4.4923    6.2071    0.0060 C   0  0  0  0  0
    4.6600    7.1771   -1.0175 O   0  0  0  0  0
    4.8817    6.4445   -2.1321 C   0  0  0  0  0
    5.1171    5.1816   -2.0305 N   0  0  0  0  0
    4.8442    7.1657   -3.2666 N   0  0  0  0  0
    1.0240   -0.0976   -2.5565 H   0  0  0  0  0
    0.5172   -1.2625   -1.3328 H   0  0  0  0  0
    1.7673   -1.7122   -2.5224 H   0  0  0  0  0
    2.9739    1.2946   -2.1963 H   0  0  0  0  0
    5.2903    0.7960    1.3996 H   0  0  0  0  0
    4.0028   -1.2399    1.9438 H   0  0  0  0  0
    2.2070   -2.0234    0.4406 H   0  0  0  0  0
    5.1083    2.4940   -1.8749 H   0  0  0  0  0
    6.0224    2.3414   -0.3885 H   0  0  0  0  0
    4.2371    3.6047    0.8601 H   0  0  0  0  0
    3.3076    3.7621   -0.6280 H   0  0  0  0  0
    6.1534    4.8527   -0.2343 H   0  0  0  0  0
    5.0064    6.5320    0.9155 H   0  0  0  0  0
    3.4234    6.1058    0.2223 H   0  0  0  0  0
    5.3183    6.7210   -4.0423 H   0  0  0  0  0
    5.0472    8.1480   -3.1445 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  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 19  1  0  0  0
  4  5  2  0  0  0
  4  8  1  0  0  0
  5  6  1  0  0  0
  5 20  1  0  0  0
  6  7  2  0  0  0
  6 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
  9 25  1  0  0  0
  9 26  1  0  0  0
 10 11  1  0  0  0
 10 14  1  0  0  0
 10 27  1  0  0  0
 11 12  1  0  0  0
 11 28  1  0  0  0
 11 29  1  0  0  0
 12 13  1  0  0  0
 13 14  2  0  0  0
 13 15  1  0  0  0
 15 30  1  0  0  0
 15 31  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL3614884

>  <PubChem CID>
24967189

>  <Formula>
C12H16N2O

>  <Molecular Weight>
204.273000

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

>  <XlogP>
1.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC1=CC(=CC=C1)CCC2COC(=N2)N

>  <Isomeric SMILES>
CC1=CC(=CC=C1)CC[C@H]2COC(=N2)N

>  <InChI Std. ID>
InChI=1S/C12H16N2O/c1-9-3-2-4-10(7-9)5-6-11-8-15-12(13)14-11/h2-4,7,11H,5-6,8H2,1H3,(H2,13,14)/t11-/m0/s1

>  <InChI Key>
ACUJTCHJGNGDMS-NSHDSACASA-N

