Chemical ID: 5988678

CC(C)(CCl)C(=O)N1CCCC(C1)c2nc(no2)c3ccc(cc3)F
Chemical ID:
5988678
Name [?]:
3-chloro-1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-2,2-dimethyl-propan-1-one
SMILES [?]:
CC(C)(CCl)C(=O)N1CCCC(C1)c2nc(no2)c3ccc(cc3)F
InChi [?]:
InChI=1/C18H21ClFN3O2/c1-18(2,11-19)17(24)23-9-3-4-13(10-23)16-21-15(22-25-16)12-5-7-14(20)8-6-12/h5-8,13H,3-4,9-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,10,11,20,24,21,23,9,13,4,19,12,22,16,14,6,2,5,25,15,17,8,7,18/E:(1,2)(5,6)(7,8)/rA:25cCCCCClCONCCCCCCNCNOCCCCCCF/rB:s1;s2;s2;s4;s2;d6;s6;s8;s9;s10;s11;s8s12;s12;d14;s15;d16;s14s17;s16;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H21ClFN3O2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:10.6868
Area:557.499
Solvation:-3.25063
Coulombic:-33.1097
Bond Count [?]
All:27
Single:21
Double:6
Rotors:5
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:365.829
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.48
LogP (Chemaxon):4.03

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