Chemical ID: 5988331

c1cc(cc(c1)Cl)c2nc(on2)C3CCCN(C3)C(=O)C4CCCCC4
Chemical ID:
5988331
Name [?]:
[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-cyclohexyl-methanone
SMILES [?]:
c1cc(cc(c1)Cl)c2nc(on2)C3CCCN(C3)C(=O)C4CCCCC4
InChi [?]:
InChI=1/C20H24ClN3O2/c21-17-10-4-8-15(12-17)18-22-19(26-23-18)16-9-5-11-24(13-16)20(25)14-6-2-1-3-7-14/h4,8,10,12,14,16H,1-3,5-7,9,11,13H2
InChi Info:
AuxInfo=1/0/N:24,23,25,1,15,22,26,2,14,6,16,4,18,21,3,13,5,8,10,19,7,9,12,17,20,11/E:(2,3)(6,7)/rA:26cCCCCCCClCNCONCCCCNCCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s10;d8s11;s10;s13;s14;s15;s16;s13s17;s17;d19;s19;s21;s22;s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H24ClN3O2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:12.4589
Area:594.176
Solvation:-2.39553
Coulombic:-29.9045
Bond Count [?]
All:29
Single:23
Double:6
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:373.876
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.77
LogP (Chemaxon):4.28

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