Chemical ID: 5988472

c1cc(ccc1c2nc(on2)C3CCCCN3C(=O)c4ccc(cc4)F)Cl
Chemical ID:
5988472
Name [?]:
[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-(4-fluorophenyl)-methanone
SMILES [?]:
c1cc(ccc1c2nc(on2)C3CCCCN3C(=O)c4ccc(cc4)F)Cl
InChi [?]:
InChI=1/C20H17ClFN3O2/c21-15-8-4-13(5-9-15)18-23-19(27-24-18)17-3-1-2-12-25(17)20(26)14-6-10-16(22)11-7-14/h4-11,17H,1-3,12H2
InChi Info:
AuxInfo=1/0/N:14,15,13,1,5,21,25,2,4,22,24,16,6,20,3,23,12,7,9,18,27,26,8,11,17,19,10/E:(4,5)(6,7)(8,9)(10,11)/rA:27cCCCCCCCNCONCCCCCNCOCCCCCCFCl/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s9;d7s10;s9;s12;s13;s14;s15;s12s16;s17;d18;s18;s20;d21;s22;d23;d20s24;s23;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H17ClFN3O2
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:10.4355
Area:568.372
Solvation:-3.77384
Coulombic:-34.7864
Bond Count [?]
All:30
Single:21
Double:9
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:385.819
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.17
LogP (Chemaxon):4.54

Name Annotations

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Descriptor Annotations

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