
 5-(2-Morpholin-4-yl-ethylamino)-2-phenoxymethyl-oxazole-4-carbonitrile

 44 46  0  0  0  0  0  0  0  0999 V2000
    5.5885    0.8603    1.7803 C   0  0  0  0  0
    5.7688    0.3728    0.3305 C   0  0  0  0  0
    5.4190   -1.0101    0.1929 O   0  0  0  0  0
    4.0819   -1.2527    0.6458 C   0  0  0  0  0
    3.8958   -0.7953    2.1022 C   0  0  0  0  0
    4.2283    0.6293    2.3282 N   0  0  0  0  0
    3.2540    1.5616    1.7170 C   0  0  0  0  0
    1.8367    1.5267    2.3376 C   0  0  0  0  0
    1.8606    1.7418    3.7815 N   0  0  0  0  0
    2.1549    2.9534    4.3057 C   0  0  0  0  0
    2.1218    4.2804    3.9259 C   0  0  0  0  0
    2.6384    5.0828    4.9187 N   0  0  0  0  0
    2.9371    4.2243    5.8761 C   0  0  0  0  0
    2.6696    2.9168    5.5702 O   0  0  0  0  0
    3.5848    4.4747    7.1916 C   0  0  0  0  0
    2.5456    4.7326    8.1334 O   0  0  0  0  0
    2.9385    5.0316    9.4094 C   0  0  0  0  0
    4.2534    5.0663    9.8786 C   0  0  0  0  0
    4.5139    5.3884   11.2141 C   0  0  0  0  0
    3.4645    5.6759   12.0847 C   0  0  0  0  0
    2.1515    5.6417   11.6220 C   0  0  0  0  0
    1.8918    5.3200   10.2889 C   0  0  0  0  0
    1.7001    4.8272    2.6775 C   0  0  0  0  0
    1.3831    5.2289    1.6361 N   0  0  0  0  0
    6.2964    0.3156    2.4189 H   0  0  0  0  0
    5.8619    1.9191    1.8606 H   0  0  0  0  0
    6.8183    0.4757    0.0364 H   0  0  0  0  0
    5.1743    0.9659   -0.3735 H   0  0  0  0  0
    3.3747   -0.7580   -0.0294 H   0  0  0  0  0
    3.9007   -2.3297    0.5739 H   0  0  0  0  0
    2.8841   -1.0265    2.4491 H   0  0  0  0  0
    4.5673   -1.3891    2.7369 H   0  0  0  0  0
    3.1590    1.4035    0.6376 H   0  0  0  0  0
    3.6417    2.5806    1.8423 H   0  0  0  0  0
    1.3698    0.5546    2.1439 H   0  0  0  0  0
    1.1924    2.2610    1.8431 H   0  0  0  0  0
    2.2997    0.9619    4.2715 H   0  0  0  0  0
    4.2462    5.3439    7.0983 H   0  0  0  0  0
    4.1629    3.5919    7.4895 H   0  0  0  0  0
    5.1017    4.8490    9.2388 H   0  0  0  0  0
    5.5392    5.4148   11.5748 H   0  0  0  0  0
    3.6702    5.9263   13.1220 H   0  0  0  0  0
    1.3290    5.8654   12.2960 H   0  0  0  0  0
    0.8650    5.2955    9.9316 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2  3  1  0  0  0
  2 27  1  0  0  0
  2 28  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4 29  1  0  0  0
  4 30  1  0  0  0
  5  6  1  0  0  0
  5 31  1  0  0  0
  5 32  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 33  1  0  0  0
  7 34  1  0  0  0
  8  9  1  0  0  0
  8 35  1  0  0  0
  8 36  1  0  0  0
  9 10  1  0  0  0
  9 37  1  0  0  0
 10 14  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 11 23  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 13 15  1  0  0  0
 15 16  1  0  0  0
 15 38  1  0  0  0
 15 39  1  0  0  0
 16 17  1  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 18 40  1  0  0  0
 19 20  2  0  0  0
 19 41  1  0  0  0
 20 21  1  0  0  0
 20 42  1  0  0  0
 21 22  2  0  0  0
 21 43  1  0  0  0
 22 44  1  0  0  0
 23 24  3  0  0  0
M  END

>  <Chemical Name>
5-(2-Morpholin-4-yl-ethylamino)-2-phenoxymethyl-oxazole-4-carbonitrile

>  <PubChem CID>
655896

>  <Formula>
C17H20N4O3

>  <Molecular Weight>
328.372000

>  <IUPAC Name>
5-(2-morpholin-4-ylethylamino)-2-(phenoxymethyl)-1,3-oxazole-4-carbonitrile

>  <XlogP>
2.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
C1COCCN1CCNC2=C(N=C(O2)COC3=CC=CC=C3)C#N

>  <Isomeric SMILES>
C1COCCN1CCNC2=C(N=C(O2)COC3=CC=CC=C3)C#N

>  <InChI Std. ID>
InChI=1S/C17H20N4O3/c18-12-15-17(19-6-7-21-8-10-22-11-9-21)24-16(20-15)13-23-14-4-2-1-3-5-14/h1-5,19H,6-11,13H2

>  <InChI Key>
ABRILHATNOGHDC-UHFFFAOYSA-N

