Chemical ID: 7097837

CCCCCCC(=O)N1CCCC(C1)c2nc(no2)c3ccc(cc3)OC
Chemical ID:
7097837
Name [?]:
1-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]heptan-1-one
SMILES [?]:
CCCCCCC(=O)N1CCCC(C1)c2nc(no2)c3ccc(cc3)OC
InChi [?]:
InChI=1/C21H29N3O3/c1-3-4-5-6-9-19(25)24-14-7-8-17(15-24)21-22-20(23-27-21)16-10-12-18(26-2)13-11-16/h10-13,17H,3-9,14-15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,27,2,3,4,5,11,12,6,21,25,22,24,10,14,20,13,23,7,17,15,16,18,9,8,26,19/E:(10,11)(12,13)/rA:27cCCCCCCCONCCCCCCNCNOCCCCCCOC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;s11;s12;s9s13;s13;d15;s16;d17;s15s18;s17;s20;d21;s22;d23;d20s24;s23;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H29N3O3
All Atoms:56
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:12.2053
Area:641.337
Solvation:-3.82813
Coulombic:-36.0787
Bond Count [?]
All:29
Single:23
Double:6
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:371.473
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.68
LogP (Chemaxon):3.85

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