
 CHEMBL422923

 34 36  0  0  0  0  0  0  0  0999 V2000
    5.2636    0.9941   -1.3717 C   0  0  0  0  0
    5.8103   -0.3770   -1.2703 C   0  0  0  0  0
    4.9941   -1.4165   -1.0558 N   0  0  0  0  0
    5.8133   -2.5290   -1.0084 O   0  0  0  0  0
    7.1060   -2.1556   -1.1963 C   0  0  0  0  0
    7.1569   -0.7956   -1.3692 C   0  0  0  0  0
    8.1150   -3.0799   -1.1874 N   0  0  0  0  0
    8.0454   -4.4334   -1.0084 C   0  0  0  0  0
    9.1154   -5.0396   -0.9969 O   0  0  0  0  0
    6.8054   -4.9937   -0.8753 N   0  0  0  0  0
    6.4824   -6.3521   -0.6661 C   0  0  0  0  0
    5.1214   -6.6966   -0.7168 C   0  0  0  0  0
    4.7220   -8.0393   -0.5452 C   0  0  0  0  0
    5.6976   -9.0091   -0.3085 C   0  0  0  0  0
    7.0576   -8.6833   -0.2278 C   0  0  0  0  0
    7.4288   -7.3444   -0.4133 C   0  0  0  0  0
    5.0436  -10.2179   -0.1931 N   0  0  0  0  0
    3.6931  -10.0422   -0.3415 C   0  0  0  0  0
    3.4642   -8.7026   -0.5597 C   0  0  0  0  0
    5.6876  -11.4909    0.0409 C   0  0  0  0  0
    4.5145    1.0534   -2.1677 H   0  0  0  0  0
    6.0537    1.7176   -1.5972 H   0  0  0  0  0
    4.7930    1.2906   -0.4289 H   0  0  0  0  0
    8.0328   -0.1885   -1.5395 H   0  0  0  0  0
    9.0634   -2.7484   -1.3048 H   0  0  0  0  0
    6.0207   -4.3706   -1.0093 H   0  0  0  0  0
    4.3615   -5.9441   -0.9045 H   0  0  0  0  0
    7.8143   -9.4364   -0.0335 H   0  0  0  0  0
    8.4873   -7.1112   -0.3452 H   0  0  0  0  0
    3.0056  -10.8759   -0.2836 H   0  0  0  0  0
    2.4958   -8.2470   -0.7184 H   0  0  0  0  0
    6.5118  -11.6044   -0.6680 H   0  0  0  0  0
    4.9661  -12.2984   -0.1085 H   0  0  0  0  0
    6.0568  -11.5037    1.0695 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  6  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  6 24  1  0  0  0
  7  8  1  0  0  0
  7 25  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 11  1  0  0  0
 10 26  1  0  0  0
 11 16  1  0  0  0
 11 12  2  0  0  0
 12 13  1  0  0  0
 12 27  1  0  0  0
 13 14  2  0  0  0
 13 19  1  0  0  0
 14 15  1  0  0  0
 14 17  1  0  0  0
 15 16  2  0  0  0
 15 28  1  0  0  0
 16 29  1  0  0  0
 17 18  1  0  0  0
 17 20  1  0  0  0
 18 19  2  0  0  0
 18 30  1  0  0  0
 19 31  1  0  0  0
 20 32  1  0  0  0
 20 33  1  0  0  0
 20 34  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL422923

>  <PubChem CID>
10015954

>  <Formula>
C14H14N4O2

>  <Molecular Weight>
270.292000

>  <IUPAC Name>
1-(1-methylindol-5-yl)-3-(3-methyl-1,2-oxazol-5-yl)urea

>  <XlogP>
1.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=NOC(=C1)NC(=O)NC2=CC3=C(C=C2)N(C=C3)C

>  <Isomeric SMILES>
CC1=NOC(=C1)NC(=O)NC2=CC3=C(C=C2)N(C=C3)C

>  <InChI Std. ID>
InChI=1S/C14H14N4O2/c1-9-7-13(20-17-9)16-14(19)15-11-3-4-12-10(8-11)5-6-18(12)2/h3-8H,1-2H3,(H2,15,16,19)

>  <InChI Key>
CRIZJSRKPJTIPG-UHFFFAOYSA-N

