
 5-{[3-(dimethylamino)propyl]amino}-2-phenyl-1,3-oxazole-4-carbonitrile

 38 39  0  0  0  0  0  0  0  0999 V2000
    3.1258    8.2433    1.3966 C   0  0  0  0  0
    3.8729    6.9784    1.3494 N   0  0  0  0  0
    4.6134    6.8160    2.6073 C   0  0  0  0  0
    2.9293    5.8650    1.1294 C   0  0  0  0  0
    3.5836    4.5054    0.8463 C   0  0  0  0  0
    4.3227    4.4353   -0.4906 C   0  0  0  0  0
    5.5494    5.2131   -0.4657 N   0  0  0  0  0
    6.4130    5.2067   -1.5051 C   0  0  0  0  0
    6.6021    4.4912   -2.6705 C   0  0  0  0  0
    7.7099    4.9435   -3.3478 N   0  0  0  0  0
    8.1692    5.9084   -2.5735 C   0  0  0  0  0
    7.4194    6.1327   -1.4463 O   0  0  0  0  0
    9.3588    6.7355   -2.7628 C   0  0  0  0  0
    9.7684    7.6861   -1.8168 C   0  0  0  0  0
   10.9237    8.4468   -2.0245 C   0  0  0  0  0
   11.6820    8.2678   -3.1802 C   0  0  0  0  0
   11.2878    7.3297   -4.1306 C   0  0  0  0  0
   10.1346    6.5693   -3.9220 C   0  0  0  0  0
    5.8060    3.4307   -3.1914 C   0  0  0  0  0
    5.1320    2.5755   -3.5965 N   0  0  0  0  0
    2.5985    8.4160    0.4518 H   0  0  0  0  0
    3.8074    9.0902    1.5335 H   0  0  0  0  0
    2.3902    8.2577    2.2098 H   0  0  0  0  0
    5.2650    7.6798    2.7822 H   0  0  0  0  0
    5.2738    5.9445    2.5687 H   0  0  0  0  0
    3.9461    6.7099    3.4703 H   0  0  0  0  0
    2.2900    6.1020    0.2682 H   0  0  0  0  0
    2.2581    5.7611    1.9924 H   0  0  0  0  0
    2.7811    3.7567    0.8206 H   0  0  0  0  0
    4.2465    4.2077    1.6663 H   0  0  0  0  0
    3.6693    4.7782   -1.3011 H   0  0  0  0  0
    4.5645    3.3817   -0.6732 H   0  0  0  0  0
    5.4678    6.0832    0.0712 H   0  0  0  0  0
    9.1954    7.8402   -0.9048 H   0  0  0  0  0
   11.2329    9.1776   -1.2813 H   0  0  0  0  0
   12.5811    8.8578   -3.3395 H   0  0  0  0  0
   11.8767    7.1855   -5.0330 H   0  0  0  0  0
    9.8421    5.8366   -4.6731 H   0  0  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 24  1  0  0  0
  3 25  1  0  0  0
  3 26  1  0  0  0
  4  5  1  0  0  0
  4 27  1  0  0  0
  4 28  1  0  0  0
  5  6  1  0  0  0
  5 29  1  0  0  0
  5 30  1  0  0  0
  6  7  1  0  0  0
  6 31  1  0  0  0
  6 32  1  0  0  0
  7  8  1  0  0  0
  7 33  1  0  0  0
  8 12  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
  9 19  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 11 13  1  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 34  1  0  0  0
 15 16  2  0  0  0
 15 35  1  0  0  0
 16 17  1  0  0  0
 16 36  1  0  0  0
 17 18  2  0  0  0
 17 37  1  0  0  0
 18 38  1  0  0  0
 19 20  3  0  0  0
M  END

>  <Chemical Name>
5-{[3-(dimethylamino)propyl]amino}-2-phenyl-1,3-oxazole-4-carbonitrile

>  <PubChem CID>
3000136

>  <Formula>
C15H18N4O

>  <Molecular Weight>
270.336000

>  <IUPAC Name>
5-[3-(dimethylamino)propylamino]-2-phenyl-1,3-oxazole-4-carbonitrile

>  <XlogP>
3.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CN(C)CCCNC1=C(N=C(O1)C2=CC=CC=C2)C#N

>  <Isomeric SMILES>
CN(C)CCCNC1=C(N=C(O1)C2=CC=CC=C2)C#N

>  <InChI Std. ID>
InChI=1S/C15H18N4O/c1-19(2)10-6-9-17-15-13(11-16)18-14(20-15)12-7-4-3-5-8-12/h3-5,7-8,17H,6,9-10H2,1-2H3

>  <InChI Key>
AACRTFVHFCAWQM-UHFFFAOYSA-N

