
 CHEMBL501404

 32 35  0  0  0  0  0  0  0  0999 V2000
    2.5261   -0.4028    1.1328 C   0  0  0  0  0
    2.3710    0.6937    0.0231 C   0  0  0  0  0
    0.8540    0.7125   -0.3169 C   0  0  0  0  0
    0.4243   -0.6024    0.1160 N   0  0  0  0  0
    1.3290   -1.2371    0.9064 C   0  0  0  0  0
    0.9356   -2.4411    1.2233 N   0  0  0  0  0
   -0.2918   -2.5617    0.5953 C   0  0  0  0  0
   -0.6184   -1.4177   -0.1142 C   0  0  0  0  0
    3.2069    0.4849   -1.2461 C   0  0  0  0  0
    3.6603    1.5886   -2.0209 C   0  0  0  0  0
    4.4429    1.3456   -3.1652 C   0  0  0  0  0
    4.7501    0.0483   -3.5519 C   0  0  0  0  0
    4.2896   -1.0359   -2.8271 C   0  0  0  0  0
    3.5188   -0.8212   -1.6848 C   0  0  0  0  0
    5.4887   -0.1551   -4.6502 F   0  0  0  0  0
    3.3180    2.9761   -1.6942 C   0  0  0  0  0
    2.2505    3.4636   -1.0874 N   0  0  0  0  0
    2.4782    4.8170   -1.0534 C   0  0  0  0  0
    3.6817    5.1030   -1.6430 C   0  0  0  0  0
    4.2311    3.9318   -2.0643 O   0  0  0  0  0
    2.4569    0.0585    2.1252 H   0  0  0  0  0
    3.4638   -0.9609    1.0743 H   0  0  0  0  0
    2.6824    1.6371    0.4852 H   0  0  0  0  0
    0.6192    0.8360   -1.3776 H   0  0  0  0  0
    0.3099    1.4409    0.2932 H   0  0  0  0  0
   -0.8704   -3.4730    0.6798 H   0  0  0  0  0
   -1.4697   -1.1569   -0.7270 H   0  0  0  0  0
    4.8083    2.1643   -3.7803 H   0  0  0  0  0
    4.5277   -2.0442   -3.1527 H   0  0  0  0  0
    3.1640   -1.6996   -1.1477 H   0  0  0  0  0
    1.7709    5.5048   -0.6091 H   0  0  0  0  0
    4.2506    6.0010   -1.8331 H   0  0  0  0  0
  1  2  1  0  0  0
  1  5  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  2  3  1  0  0  0
  2  9  1  0  0  0
  2 23  1  0  0  0
  3  4  1  0  0  0
  3 24  1  0  0  0
  3 25  1  0  0  0
  4  5  1  0  0  0
  4  8  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7 26  1  0  0  0
  8 27  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 10 16  1  0  0  0
 11 12  2  0  0  0
 11 28  1  0  0  0
 12 13  1  0  0  0
 12 15  1  0  0  0
 13 14  2  0  0  0
 13 29  1  0  0  0
 14 30  1  0  0  0
 16 17  2  0  0  0
 16 20  1  0  0  0
 17 18  1  0  0  0
 18 19  2  0  0  0
 18 31  1  0  0  0
 19 20  1  0  0  0
 19 32  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL501404

>  <PubChem CID>
44574133

>  <Formula>
C15H12FN3O

>  <Molecular Weight>
269.279000

>  <IUPAC Name>
2-[2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl)-5-fluorophenyl]-1,3-oxazole

>  <XlogP>
1.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1C(CN2C1=NC=C2)C3=C(C=C(C=C3)F)C4=NC=CO4

>  <Isomeric SMILES>
C1C(CN2C1=NC=C2)C3=C(C=C(C=C3)F)C4=NC=CO4

>  <InChI Std. ID>
InChI=1S/C15H12FN3O/c16-11-1-2-12(13(8-11)15-18-4-6-20-15)10-7-14-17-3-5-19(14)9-10/h1-6,8,10H,7,9H2

>  <InChI Key>
BFDKAMOCQFIESP-UHFFFAOYSA-N

