Chemical ID: 5988079

Cc1cccc(c1)c2nc(on2)C3CCCCN3C(=O)c4ccc(cc4)Cl
Chemical ID:
5988079
Name [?]:
(4-chlorophenyl)-[2-[3-(m-tolyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-methanone
SMILES [?]:
Cc1cccc(c1)c2nc(on2)C3CCCCN3C(=O)c4ccc(cc4)Cl
InChi [?]:
InChI=1/C21H20ClN3O2/c1-14-5-4-6-16(13-14)19-23-20(27-24-19)18-7-2-3-12-25(18)21(26)15-8-10-17(22)11-9-15/h4-6,8-11,13,18H,2-3,7,12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,15,16,4,3,5,14,22,26,23,25,17,7,2,21,6,24,13,8,10,19,27,9,12,18,20,11/E:(8,9)(10,11)/rA:27cCCCCCCCCNCONCCCCCNCOCCCCCCCl/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;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H20ClN3O2
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:11.7105
Area:585.398
Solvation:-2.92441
Coulombic:-31.864
Bond Count [?]
All:30
Single:21
Double:9
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:381.855
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.44
LogP (Chemaxon):4.87

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue