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

C23H24ClF4N3O5 — CID 155254746

About 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

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 (PubChem CID 155254746) has the molecular formula C23H24ClF4N3O5 and a molecular weight of 533.91 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 155254746
• Molecular Formula: C23H24ClF4N3O5
• Molecular Weight: 533.91 g/mol
• Exact Mass: 533.13
• IUPAC Name: 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
• SMILES: O=C(COc1ccc(Cl)c(F)c1)NC12CCC(c3nnc(C4CC(OC(F)(F)F)C4)o3)(CC1)CC2O
• InChI: InChI=1S/C23H24ClF4N3O5/c24-15-2-1-13(9-16(15)25)34-11-18(33)29-22-5-3-21(4-6-22,10-17(22)32)20-31-30-19(35-20)12-7-14(8-12)36-23(26,27)28/h1-2,9,12,14,17,32H,3-8,10-11H2,(H,29,33)
• InChIKey: NQGFUYSLSYXDPG-UHFFFAOYSA-N
• XLogP: 4.15
• TPSA: 106.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	533.91
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is O=C(COc1ccc(Cl)c(F)c1)NC12CCC(c3nnc(C4CC(OC(F)(F)F)C4)o3)(CC1)CC2O.

What is the InChIKey of 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?

The InChIKey is NQGFUYSLSYXDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClF4N3O5/c24-15-2-1-13(9-16(15)25)34-11-18(33)29-22-5-3-21(4-6-22,10-17(22)32)20-31-30-19(35-20)12-7-14(8-12)36-23(26,27)28/h1-2,9,12,14,17,32H,3-8,10-11H2,(H,29,33).

What are the key properties of 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?

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 has a molecular weight of 533.91 g/mol, XLogP of 4.15, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 155254746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).