Chemical ID: 5988097

Cc1cccc(c1)c2nc(on2)C3CCCCN3C(=O)c4cccc(c4)F
Chemical ID:
5988097
Name [?]:
(3-fluorophenyl)-[2-[3-(m-tolyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-methanone
SMILES [?]:
Cc1cccc(c1)c2nc(on2)C3CCCCN3C(=O)c4cccc(c4)F
InChi [?]:
InChI=1/C21H20FN3O2/c1-14-6-4-7-15(12-14)19-23-20(27-24-19)18-10-2-3-11-25(18)21(26)16-8-5-9-17(22)13-16/h4-9,12-13,18H,2-3,10-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,15,16,4,23,3,5,22,24,14,17,7,26,2,6,21,25,13,8,10,19,27,9,12,18,20,11/rA:27cCCCCCCCCNCONCCCCCNCOCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s6;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:10.125
Area:557.128
Solvation:-3.80321
Coulombic:-34.4702
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

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Descriptor Annotations

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