
 SCHEMBL1834736

 33 34  0  0  0  0  0  0  0  0999 V2000
    0.1989    4.2155   -3.7969 C   0  0  0  0  0
    1.1820    3.5312   -3.0288 O   0  0  0  0  0
    2.1533    4.3064   -2.4597 C   0  0  0  0  0
    3.3011    3.6175   -2.0646 C   0  0  0  0  0
    4.3716    4.2904   -1.4668 C   0  0  0  0  0
    4.2925    5.6634   -1.2423 C   0  0  0  0  0
    3.1395    6.3508   -1.6290 C   0  0  0  0  0
    2.0717    5.6790   -2.2339 C   0  0  0  0  0
    5.2531    6.4398   -0.6577 O   0  0  0  0  0
    6.4354    5.7844   -0.2031 C   0  0  0  0  0
    7.3236    6.7991    0.5138 C   0  0  0  0  0
    6.7188    7.2918    1.8279 C   0  0  0  0  0
    5.4955    8.1782    1.6835 C   0  0  0  0  0
    5.6517    9.1382    2.7200 O   0  0  0  0  0
    6.9651    9.0775    3.0339 C   0  0  0  0  0
    7.6979    8.1375    2.5394 N   0  0  0  0  0
    7.3724   10.0811    3.8300 N   0  0  0  0  0
   -0.4321    3.4613   -4.2780 H   0  0  0  0  0
    0.6647    4.8157   -4.5862 H   0  0  0  0  0
   -0.4459    4.8300   -3.1606 H   0  0  0  0  0
    3.3657    2.5453   -2.2313 H   0  0  0  0  0
    5.2458    3.7105   -1.1924 H   0  0  0  0  0
    3.0682    7.4217   -1.4527 H   0  0  0  0  0
    1.1915    6.2535   -2.5017 H   0  0  0  0  0
    6.9826    5.3829   -1.0643 H   0  0  0  0  0
    6.1869    4.9702    0.4881 H   0  0  0  0  0
    7.5182    7.6553   -0.1446 H   0  0  0  0  0
    8.2937    6.3302    0.7209 H   0  0  0  0  0
    6.4893    6.4334    2.4729 H   0  0  0  0  0
    4.5647    7.6216    1.8290 H   0  0  0  0  0
    5.4510    8.7110    0.7280 H   0  0  0  0  0
    8.3695   10.2467    3.7906 H   0  0  0  0  0
    6.7962   10.9104    3.7834 H   0  0  0  0  0
  1  2  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 21  1  0  0  0
  5  6  2  0  0  0
  5 22  1  0  0  0
  6  7  1  0  0  0
  6  9  1  0  0  0
  7  8  2  0  0  0
  7 23  1  0  0  0
  8 24  1  0  0  0
  9 10  1  0  0  0
 10 11  1  0  0  0
 10 25  1  0  0  0
 10 26  1  0  0  0
 11 12  1  0  0  0
 11 27  1  0  0  0
 11 28  1  0  0  0
 12 13  1  0  0  0
 12 16  1  0  0  0
 12 29  1  0  0  0
 13 14  1  0  0  0
 13 30  1  0  0  0
 13 31  1  0  0  0
 14 15  1  0  0  0
 15 16  2  0  0  0
 15 17  1  0  0  0
 17 32  1  0  0  0
 17 33  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL1834736

>  <PubChem CID>
45102444

>  <Formula>
C12H16N2O3

>  <Molecular Weight>
236.271000

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

>  <XlogP>
1.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
COC1=CC=C(C=C1)OCCC2COC(=N2)N

>  <Isomeric SMILES>
COC1=CC=C(C=C1)OCC[C@H]2COC(=N2)N

>  <InChI Std. ID>
InChI=1S/C12H16N2O3/c1-15-10-2-4-11(5-3-10)16-7-6-9-8-17-12(13)14-9/h2-5,9H,6-8H2,1H3,(H2,13,14)/t9-/m0/s1

>  <InChI Key>
AUFWAGUVSMWFKR-VIFPVBQESA-N

