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

C19H19ClF3N3O5 — CID 164785589

About 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

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 (PubChem CID 164785589) has the molecular formula C19H19ClF3N3O5 and a molecular weight of 461.82 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 164785589
• Molecular Formula: C19H19ClF3N3O5
• Molecular Weight: 461.82 g/mol
• Exact Mass: 461.10
• IUPAC Name: 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
• SMILES: O=C(COc1ccc(Cl)cc1)NC12CC(c3nnc(OCCOCC(F)(F)F)o3)(C1)C2
• InChI: InChI=1S/C19H19ClF3N3O5/c20-12-1-3-13(4-2-12)30-7-14(27)24-18-8-17(9-18,10-18)15-25-26-16(31-15)29-6-5-28-11-19(21,22)23/h1-4H,5-11H2,(H,24,27)
• InChIKey: ZYXIYWUZGALOSD-UHFFFAOYSA-N
• XLogP: 3.05
• TPSA: 95.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.82
LogP ≤ 5	3.05
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-(2,2,2-trifluoroethoxy)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-(2,2,2-trifluoroethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide (CID 164785589) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is O=C(COc1ccc(Cl)cc1)NC12CC(c3nnc(OCCOCC(F)(F)F)o3)(C1)C2.

What is the InChIKey of 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?

The InChIKey is ZYXIYWUZGALOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF3N3O5/c20-12-1-3-13(4-2-12)30-7-14(27)24-18-8-17(9-18,10-18)15-25-26-16(31-15)29-6-5-28-11-19(21,22)23/h1-4H,5-11H2,(H,24,27).

What are the key properties of 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?

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 has a molecular weight of 461.82 g/mol, XLogP of 3.05, 10 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-(2,2,2-trifluoroethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide is sourced from PubChem (CID 164785589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).