Chemical ID: 5996910

COc1cccc(c1)c2nc(on2)C3CCCN3C(=O)c4ccccc4F
Chemical ID:
5996910
Name [?]:
(2-fluorophenyl)-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-methanone
SMILES [?]:
COc1cccc(c1)c2nc(on2)C3CCCN3C(=O)c4ccccc4F
InChi [?]:
InChI=1/C20H18FN3O3/c1-26-14-7-4-6-13(12-14)18-22-19(27-23-18)17-10-5-11-24(17)20(25)15-8-2-3-9-16(15)21/h2-4,6-9,12,17H,5,10-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,23,24,5,16,6,4,22,25,15,17,8,7,3,21,26,14,9,11,19,27,10,13,18,20,2,12/rA:27cCOCCCCCCCNCONCCCCNCOCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s11;d9s12;s11;s14;s15;s16;s14s17;s18;d19;s19;s21;d22;s23;d24;d21s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H18FN3O3
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:8.84255
Area:563.372
Solvation:-5.24174
Coulombic:-40.9248
Bond Count [?]
All:30
Single:21
Double:9
Rotors:5
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:367.374
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.1
LogP (Chemaxon):3.37

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