2-[3-(trifluoromethoxy)cyclobutyl]oxy-N-[3-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide

C17H19F6N3O6 — CID 137491496

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

2-[3-(trifluoromethoxy)cyclobutyl]oxy-N-[3-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide (PubChem CID 137491496) has the molecular formula C17H19F6N3O6 and a molecular weight of 475.34 g/mol. Its IUPAC name is 2-[3-(trifluoromethoxy)cyclobutyl]oxy-N-[3-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide.

Molecular Properties

• Compound Name: 2-[3-(trifluoromethoxy)cyclobutyl]oxy-N-[3-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide
• PubChem CID: 137491496
• Molecular Formula: C17H19F6N3O6
• Molecular Weight: 475.34 g/mol
• Exact Mass: 475.12
• IUPAC Name: 2-[3-(trifluoromethoxy)cyclobutyl]oxy-N-[3-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide
• SMILES: O=C(COC1CC(OC(F)(F)F)C1)NC12CC(c3nnc(OCCOC(F)(F)F)o3)(C1)C2
• InChI: InChI=1S/C17H19F6N3O6/c18-16(19,20)30-2-1-28-13-26-25-12(31-13)14-6-15(7-14,8-14)24-11(27)5-29-9-3-10(4-9)32-17(21,22)23/h9-10H,1-8H2,(H,24,27)
• InChIKey: NEDXRBIFGSRDFS-UHFFFAOYSA-N
• XLogP: 2.36
• TPSA: 104.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.34
LogP ≤ 5	2.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethoxy)cyclobutyl]oxy-N-[3-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide?

The IUPAC name of 2-[3-(trifluoromethoxy)cyclobutyl]oxy-N-[3-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide (CID 137491496) is 2-[3-(trifluoromethoxy)cyclobutyl]oxy-N-[3-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide.

What is the SMILES notation for 2-[3-(trifluoromethoxy)cyclobutyl]oxy-N-[3-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide?

The canonical SMILES for 2-[3-(trifluoromethoxy)cyclobutyl]oxy-N-[3-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide is O=C(COC1CC(OC(F)(F)F)C1)NC12CC(c3nnc(OCCOC(F)(F)F)o3)(C1)C2.

What is the InChIKey of 2-[3-(trifluoromethoxy)cyclobutyl]oxy-N-[3-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide?

The InChIKey is NEDXRBIFGSRDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F6N3O6/c18-16(19,20)30-2-1-28-13-26-25-12(31-13)14-6-15(7-14,8-14)24-11(27)5-29-9-3-10(4-9)32-17(21,22)23/h9-10H,1-8H2,(H,24,27).

What are the key properties of 2-[3-(trifluoromethoxy)cyclobutyl]oxy-N-[3-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide?

2-[3-(trifluoromethoxy)cyclobutyl]oxy-N-[3-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide has a molecular weight of 475.34 g/mol, XLogP of 2.36, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(trifluoromethoxy)cyclobutyl]oxy-N-[3-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide is sourced from PubChem (CID 137491496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).