2-(3-chlorophenoxy)-N-[3-[5-[3-(trifluoromethoxymethyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide

C21H21ClF3N3O4 — CID 162611570

IUPAC2-(3-chlorophenoxy)-N-[3-[5-[3-(trifluoromethoxymethyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide
SMILESO=C(COc1cccc(Cl)c1)NC12CC(c3nnc(C4CC(COC(F)(F)F)C4)o3)(C1)C2
InChIInChI=1S/C21H21ClF3N3O4/c22-14-2-1-3-15(6-14)30-8-16(29)26-20-9-19(10-20,11-20)18-28-27-17(32-18)13-4-12(5-13)7-31-21(23,24)25/h1-3,6,12-13H,4-5,7-11H2,(H,26,29)
InChIKeyLLAMSGRCAQGKMZ-UHFFFAOYSA-N
MW471.86 g/mol
LogP4.12
Rot. Bonds8

About 2-(3-chlorophenoxy)-N-[3-[5-[3-(trifluoromethoxymethyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide

2-(3-chlorophenoxy)-N-[3-[5-[3-(trifluoromethoxymethyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide (PubChem CID 162611570) has the molecular formula C21H21ClF3N3O4 and a molecular weight of 471.86 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-[3-[5-[3-(trifluoromethoxymethyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-[3-[5-[3-(trifluoromethoxymethyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide
PubChem CID162611570
Molecular FormulaC21H21ClF3N3O4
Molecular Weight471.86 g/mol
Exact Mass471.12
IUPAC Name2-(3-chlorophenoxy)-N-[3-[5-[3-(trifluoromethoxymethyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide
SMILESO=C(COc1cccc(Cl)c1)NC12CC(c3nnc(C4CC(COC(F)(F)F)C4)o3)(C1)C2
InChIInChI=1S/C21H21ClF3N3O4/c22-14-2-1-3-15(6-14)30-8-16(29)26-20-9-19(10-20,11-20)18-28-27-17(32-18)13-4-12(5-13)7-31-21(23,24)25/h1-3,6,12-13H,4-5,7-11H2,(H,26,29)
InChIKeyLLAMSGRCAQGKMZ-UHFFFAOYSA-N
XLogP4.12
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.86
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chlorophenoxy)-N-[3-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 164785593
3-(5-chloro-2-pyridinyl)-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]propanamide
CID 166508312
2-(4-chloro-3-fluorophenoxy)-N-[3-[5-[(2R,4R)-6-chloro-4-methyl-3,4-dihydro-2H-chromen-2-yl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 155717353
2-[(2S,4S)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 155261940
2-(4-chloro-3-fluorophenoxy)-N-[2-hydroxy-4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[2.2.2]octanyl]acetamide
CID 155254746
2-[3-(trifluoromethoxy)cyclobutyl]oxy-N-[3-[5-[(1S,2S)-2-(trifluoromethoxymethyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 137491401
3-chloro-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]quinoline-7-carboxamide
CID 137491666
2-[3-(trifluoromethoxymethyl)cyclobutyl]oxy-N-[3-[5-[3-(trifluoromethoxy)-2-[2-[5-[3-[[2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,3,4-oxadiazol-2-yl]-3-(trifluoromethoxymethyl)cyclopropyl]cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 137491517
[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]carbamic acid
CID 137480136
2-(4-chlorophenoxy)-N-[(2R)-4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-2-bicyclo[2.1.1]hexanyl]acetamide
CID 170641711
2-(4-chlorophenoxy)-N-[3-[5-[2-(2,2,2-trifluoroethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 164785589
2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-4-(trifluoromethoxymethyl)pyrrolidin-1-yl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 137491712

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-[3-[5-[3-(trifluoromethoxymethyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-[3-[5-[3-(trifluoromethoxymethyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide (CID 162611570) is 2-(3-chlorophenoxy)-N-[3-[5-[3-(trifluoromethoxymethyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-[3-[5-[3-(trifluoromethoxymethyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-[3-[5-[3-(trifluoromethoxymethyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide is O=C(COc1cccc(Cl)c1)NC12CC(c3nnc(C4CC(COC(F)(F)F)C4)o3)(C1)C2.
What is the InChIKey of 2-(3-chlorophenoxy)-N-[3-[5-[3-(trifluoromethoxymethyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide?
The InChIKey is LLAMSGRCAQGKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClF3N3O4/c22-14-2-1-3-15(6-14)30-8-16(29)26-20-9-19(10-20,11-20)18-28-27-17(32-18)13-4-12(5-13)7-31-21(23,24)25/h1-3,6,12-13H,4-5,7-11H2,(H,26,29).
What are the key properties of 2-(3-chlorophenoxy)-N-[3-[5-[3-(trifluoromethoxymethyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide?
2-(3-chlorophenoxy)-N-[3-[5-[3-(trifluoromethoxymethyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide has a molecular weight of 471.86 g/mol, XLogP of 4.12, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-[3-[5-[3-(trifluoromethoxymethyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide is sourced from PubChem (CID 162611570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).