Chemical ID: 5988177

Cc1ccc(cc1)c2nc(on2)C3CCCCN3C(=O)c4cccc(c4)F
Chemical ID:
5988177
Name [?]:
(3-fluorophenyl)-[2-[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-methanone
SMILES [?]:
Cc1ccc(cc1)c2nc(on2)C3CCCCN3C(=O)c4cccc(c4)F
InChi [?]:
InChI=1/C21H20FN3O2/c1-14-8-10-15(11-9-14)19-23-20(27-24-19)18-7-2-3-12-25(18)21(26)16-5-4-6-17(22)13-16/h4-6,8-11,13,18H,2-3,7,12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,15,16,23,22,24,14,3,7,4,6,17,26,2,5,21,25,13,8,10,19,27,9,12,18,20,11/E:(8,9)(10,11)/rA:27cCCCCCCCCNCONCCCCCNCOCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d8s11;s10;s13;s14;s15;s16;s13s17;s18;d19;s19;s21;d22;s23;d24;d21s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H20FN3O2
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:10.1039
Area:556.165
Solvation:-3.80022
Coulombic:-34.4561
Bond Count [?]
All:30
Single:21
Double:9
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:365.401
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.98
LogP (Chemaxon):4.49

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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