Chemical ID: 5988787

CC(C)(CCl)C(=O)N1CCCC(C1)c2nc(no2)c3cccc(c3)OC
Chemical ID:
5988787
Name [?]:
3-chloro-1-[3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-2,2-dimethyl-propan-1-one
SMILES [?]:
CC(C)(CCl)C(=O)N1CCCC(C1)c2nc(no2)c3cccc(c3)OC
InChi [?]:
InChI=1/C19H24ClN3O3/c1-19(2,12-20)18(24)23-9-5-7-14(11-23)17-21-16(22-26-17)13-6-4-8-15(10-13)25-3/h4,6,8,10,14H,5,7,9,11-12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,26,21,10,20,11,22,9,24,13,4,19,12,23,16,14,6,2,5,15,17,8,7,25,18/E:(1,2)/rA:26cCCCCClCONCCCCCCNCNOCCCCCCOC/rB:s1;s2;s2;s4;s2;d6;s6;s8;s9;s10;s11;s8s12;s12;d14;s15;d16;s14s17;s16;s19;d20;s21;d22;d19s23;s23;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H24ClN3O3
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:10.9626
Area:587.888
Solvation:-3.73465
Coulombic:-36.4027
Bond Count [?]
All:28
Single:22
Double:6
Rotors:6
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:377.865
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.24
LogP (Chemaxon):3.64

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