
 CHEMBL3580912

 35 37  0  0  0  0  0  0  0  0999 V2000
    1.5302   -0.7787    2.6406 C   0  0  0  0  0
    2.1443   -1.9378    1.9732 C   0  0  0  0  0
    1.6759   -2.9744    1.2028 C   0  0  0  0  0
    2.7118   -3.8007    0.8465 N   0  0  0  0  0
    3.7652   -3.2413    1.4076 C   0  0  0  0  0
    3.4935   -2.0990    2.1120 O   0  0  0  0  0
    5.1796   -3.6888    1.3848 C   0  0  0  0  0
    5.7293   -3.7030   -0.0408 C   0  0  0  0  0
    7.1639   -4.1312   -0.0810 C   0  0  0  0  0
    8.2655   -3.3022   -0.0045 C   0  0  0  0  0
    9.3919   -4.0767   -0.0597 N   0  0  0  0  0
    9.0515   -5.4039   -0.1700 C   0  0  0  0  0
    7.6589   -5.4717   -0.1933 C   0  0  0  0  0
    7.0442   -6.7400   -0.3073 C   0  0  0  0  0
    7.8386   -7.8899   -0.3927 C   0  0  0  0  0
    9.2295   -7.7791   -0.3601 C   0  0  0  0  0
    9.8650   -6.5381   -0.2497 C   0  0  0  0  0
    7.3760   -9.1744   -0.5066 O   0  0  0  0  0
    5.9673   -9.3429   -0.6014 C   0  0  0  0  0
    0.5495   -0.5544    2.2107 H   0  0  0  0  0
    2.1583    0.1105    2.5333 H   0  0  0  0  0
    1.3984   -0.9805    3.7076 H   0  0  0  0  0
    0.6589   -3.1712    0.8910 H   0  0  0  0  0
    5.2405   -4.6916    1.8251 H   0  0  0  0  0
    5.7902   -3.0319    2.0164 H   0  0  0  0  0
    5.6375   -2.7038   -0.4875 H   0  0  0  0  0
    5.1301   -4.3716   -0.6722 H   0  0  0  0  0
    8.3421   -2.2263    0.0871 H   0  0  0  0  0
   10.3407   -3.7308   -0.0229 H   0  0  0  0  0
    5.9624   -6.7887   -0.3257 H   0  0  0  0  0
    9.8359   -8.6800   -0.4242 H   0  0  0  0  0
   10.9472   -6.4681   -0.2279 H   0  0  0  0  0
    5.7653  -10.4138   -0.7032 H   0  0  0  0  0
    5.5685   -8.8432   -1.4905 H   0  0  0  0  0
    5.4657   -8.9954    0.3078 H   0  0  0  0  0
  1  2  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  2  3  2  0  0  0
  2  6  1  0  0  0
  3  4  1  0  0  0
  3 23  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5  7  1  0  0  0
  7  8  1  0  0  0
  7 24  1  0  0  0
  7 25  1  0  0  0
  8  9  1  0  0  0
  8 26  1  0  0  0
  8 27  1  0  0  0
  9 13  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 10 28  1  0  0  0
 11 12  1  0  0  0
 11 29  1  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
 14 15  2  0  0  0
 14 30  1  0  0  0
 15 16  1  0  0  0
 15 18  1  0  0  0
 16 17  2  0  0  0
 16 31  1  0  0  0
 17 32  1  0  0  0
 18 19  1  0  0  0
 19 33  1  0  0  0
 19 34  1  0  0  0
 19 35  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3580912

>  <PubChem CID>
86273470

>  <Formula>
C15H16N2O2

>  <Molecular Weight>
256.305000

>  <IUPAC Name>
2-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-methyl-1,3-oxazole

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=CN=C(O1)CCC2=CNC3=C2C=C(C=C3)OC

>  <Isomeric SMILES>
CC1=CN=C(O1)CCC2=CNC3=C2C=C(C=C3)OC

>  <InChI Std. ID>
InChI=1S/C15H16N2O2/c1-10-8-17-15(19-10)6-3-11-9-16-14-5-4-12(18-2)7-13(11)14/h4-5,7-9,16H,3,6H2,1-2H3

>  <InChI Key>
ASCRDPDMLVIBCT-UHFFFAOYSA-N

