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

C18H17ClF3N3O5 — CID 164785593

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

2-(4-chlorophenoxy)-N-[3-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide (PubChem CID 164785593) has the molecular formula C18H17ClF3N3O5 and a molecular weight of 447.80 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[3-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide.

Molecular Properties

• Compound Name: 2-(4-chlorophenoxy)-N-[3-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide
• PubChem CID: 164785593
• Molecular Formula: C18H17ClF3N3O5
• Molecular Weight: 447.80 g/mol
• Exact Mass: 447.08
• IUPAC Name: 2-(4-chlorophenoxy)-N-[3-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide
• SMILES: O=C(COc1ccc(Cl)cc1)NC12CC(c3nnc(OCCOC(F)(F)F)o3)(C1)C2
• InChI: InChI=1S/C18H17ClF3N3O5/c19-11-1-3-12(4-2-11)28-7-13(26)23-17-8-16(9-17,10-17)14-24-25-15(30-14)27-5-6-29-18(20,21)22/h1-4H,5-10H2,(H,23,26)
• InChIKey: ZGZXWHJABKSVKB-UHFFFAOYSA-N
• XLogP: 3.01
• TPSA: 95.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.80
LogP ≤ 5	3.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 2-(4-chlorophenoxy)-N-[3-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide (CID 164785593) is 2-(4-chlorophenoxy)-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-(4-chlorophenoxy)-N-[3-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide?

The canonical SMILES for 2-(4-chlorophenoxy)-N-[3-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide is O=C(COc1ccc(Cl)cc1)NC12CC(c3nnc(OCCOC(F)(F)F)o3)(C1)C2.

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

The InChIKey is ZGZXWHJABKSVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF3N3O5/c19-11-1-3-12(4-2-11)28-7-13(26)23-17-8-16(9-17,10-17)14-24-25-15(30-14)27-5-6-29-18(20,21)22/h1-4H,5-10H2,(H,23,26).

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

2-(4-chlorophenoxy)-N-[3-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide has a molecular weight of 447.80 g/mol, XLogP of 3.01, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chlorophenoxy)-N-[3-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide is sourced from PubChem (CID 164785593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).