N-[4-[5-[1-(2,4-dichlorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]phenyl]-2-(4-methoxyphenyl)acetamide

C25H21Cl2N3O4 — CID 2951958

About N-[4-[5-[1-(2,4-dichlorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]phenyl]-2-(4-methoxyphenyl)acetamide

N-[4-[5-[1-(2,4-dichlorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]phenyl]-2-(4-methoxyphenyl)acetamide (PubChem CID 2951958) has the molecular formula C25H21Cl2N3O4 and a molecular weight of 498.37 g/mol. Its IUPAC name is N-[4-[5-[1-(2,4-dichlorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]phenyl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

• Compound Name: N-[4-[5-[1-(2,4-dichlorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]phenyl]-2-(4-methoxyphenyl)acetamide
• PubChem CID: 2951958
• Molecular Formula: C25H21Cl2N3O4
• Molecular Weight: 498.37 g/mol
• Exact Mass: 497.09
• IUPAC Name: N-[4-[5-[1-(2,4-dichlorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]phenyl]-2-(4-methoxyphenyl)acetamide
• SMILES: COc1ccc(CC(=O)Nc2ccc(-c3noc(C(C)Oc4ccc(Cl)cc4Cl)n3)cc2)cc1
• InChI: InChI=1S/C25H21Cl2N3O4/c1-15(33-22-12-7-18(26)14-21(22)27)25-29-24(30-34-25)17-5-8-19(9-6-17)28-23(31)13-16-3-10-20(32-2)11-4-16/h3-12,14-15H,13H2,1-2H3,(H,28,31)
• InChIKey: AFHNWBSPQCSIQR-UHFFFAOYSA-N
• XLogP: 6.37
• TPSA: 86.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.37
LogP ≤ 5	6.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[1-(2,4-dichlorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]phenyl]-2-(4-methoxyphenyl)acetamide?

The IUPAC name of N-[4-[5-[1-(2,4-dichlorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]phenyl]-2-(4-methoxyphenyl)acetamide (CID 2951958) is N-[4-[5-[1-(2,4-dichlorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]phenyl]-2-(4-methoxyphenyl)acetamide.

What is the SMILES notation for N-[4-[5-[1-(2,4-dichlorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]phenyl]-2-(4-methoxyphenyl)acetamide?

The canonical SMILES for N-[4-[5-[1-(2,4-dichlorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]phenyl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)Nc2ccc(-c3noc(C(C)Oc4ccc(Cl)cc4Cl)n3)cc2)cc1.

What is the InChIKey of N-[4-[5-[1-(2,4-dichlorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]phenyl]-2-(4-methoxyphenyl)acetamide?

The InChIKey is AFHNWBSPQCSIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21Cl2N3O4/c1-15(33-22-12-7-18(26)14-21(22)27)25-29-24(30-34-25)17-5-8-19(9-6-17)28-23(31)13-16-3-10-20(32-2)11-4-16/h3-12,14-15H,13H2,1-2H3,(H,28,31).

What are the key properties of N-[4-[5-[1-(2,4-dichlorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]phenyl]-2-(4-methoxyphenyl)acetamide?

N-[4-[5-[1-(2,4-dichlorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]phenyl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 498.37 g/mol, XLogP of 6.37, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[5-[1-(2,4-dichlorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]phenyl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 2951958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).