2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-5-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazolidin-3-yl]-1-bicyclo[1.1.1]pentanyl]acetamide

C21H21ClF4N2O5 — CID 137491361

About 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-5-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazolidin-3-yl]-1-bicyclo[1.1.1]pentanyl]acetamide

2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-5-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazolidin-3-yl]-1-bicyclo[1.1.1]pentanyl]acetamide (PubChem CID 137491361) has the molecular formula C21H21ClF4N2O5 and a molecular weight of 492.85 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-5-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazolidin-3-yl]-1-bicyclo[1.1.1]pentanyl]acetamide.

Molecular Properties

• Compound Name: 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-5-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazolidin-3-yl]-1-bicyclo[1.1.1]pentanyl]acetamide
• PubChem CID: 137491361
• Molecular Formula: C21H21ClF4N2O5
• Molecular Weight: 492.85 g/mol
• Exact Mass: 492.11
• IUPAC Name: 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-5-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazolidin-3-yl]-1-bicyclo[1.1.1]pentanyl]acetamide
• SMILES: O=C(COc1ccc(Cl)c(F)c1)NC12CC(N3CC(C4CC(OC(F)(F)F)C4)OC3=O)(C1)C2
• InChI: InChI=1S/C21H21ClF4N2O5/c22-14-2-1-12(5-15(14)23)31-7-17(29)27-19-8-20(9-19,10-19)28-6-16(32-18(28)30)11-3-13(4-11)33-21(24,25)26/h1-2,5,11,13,16H,3-4,6-10H2,(H,27,29)
• InChIKey: SKKIZTRPTOKLDT-UHFFFAOYSA-N
• XLogP: 3.79
• TPSA: 77.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.85
LogP ≤ 5	3.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-5-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazolidin-3-yl]-1-bicyclo[1.1.1]pentanyl]acetamide?

The IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-5-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazolidin-3-yl]-1-bicyclo[1.1.1]pentanyl]acetamide (CID 137491361) is 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-5-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazolidin-3-yl]-1-bicyclo[1.1.1]pentanyl]acetamide.

What is the SMILES notation for 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-5-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazolidin-3-yl]-1-bicyclo[1.1.1]pentanyl]acetamide?

The canonical SMILES for 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-5-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazolidin-3-yl]-1-bicyclo[1.1.1]pentanyl]acetamide is O=C(COc1ccc(Cl)c(F)c1)NC12CC(N3CC(C4CC(OC(F)(F)F)C4)OC3=O)(C1)C2.

What is the InChIKey of 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-5-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazolidin-3-yl]-1-bicyclo[1.1.1]pentanyl]acetamide?

The InChIKey is SKKIZTRPTOKLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClF4N2O5/c22-14-2-1-12(5-15(14)23)31-7-17(29)27-19-8-20(9-19,10-19)28-6-16(32-18(28)30)11-3-13(4-11)33-21(24,25)26/h1-2,5,11,13,16H,3-4,6-10H2,(H,27,29).

What are the key properties of 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-5-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazolidin-3-yl]-1-bicyclo[1.1.1]pentanyl]acetamide?

2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-5-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazolidin-3-yl]-1-bicyclo[1.1.1]pentanyl]acetamide has a molecular weight of 492.85 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-5-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazolidin-3-yl]-1-bicyclo[1.1.1]pentanyl]acetamide is sourced from PubChem (CID 137491361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).