N-[5-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2-(4-ethylphenoxy)acetamide

C22H21ClN4O4 — CID 50837538

About N-[5-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2-(4-ethylphenoxy)acetamide

N-[5-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2-(4-ethylphenoxy)acetamide (PubChem CID 50837538) has the molecular formula C22H21ClN4O4 and a molecular weight of 440.89 g/mol. Its IUPAC name is N-[5-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2-(4-ethylphenoxy)acetamide.

Molecular Properties

• Compound Name: N-[5-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2-(4-ethylphenoxy)acetamide
• PubChem CID: 50837538
• Molecular Formula: C22H21ClN4O4
• Molecular Weight: 440.89 g/mol
• Exact Mass: 440.13
• IUPAC Name: N-[5-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2-(4-ethylphenoxy)acetamide
• SMILES: CCc1ccc(OCC(=O)Nc2nnc(C3CC(=O)N(c4ccc(Cl)cc4)C3)o2)cc1
• InChI: InChI=1S/C22H21ClN4O4/c1-2-14-3-9-18(10-4-14)30-13-19(28)24-22-26-25-21(31-22)15-11-20(29)27(12-15)17-7-5-16(23)6-8-17/h3-10,15H,2,11-13H2,1H3,(H,24,26,28)
• InChIKey: GOOLLTYQBKAWAB-UHFFFAOYSA-N
• XLogP: 3.82
• TPSA: 97.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.89
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2-(4-ethylphenoxy)acetamide?

The IUPAC name of N-[5-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2-(4-ethylphenoxy)acetamide (CID 50837538) is N-[5-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2-(4-ethylphenoxy)acetamide.

What is the SMILES notation for N-[5-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2-(4-ethylphenoxy)acetamide?

The canonical SMILES for N-[5-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2-(4-ethylphenoxy)acetamide is CCc1ccc(OCC(=O)Nc2nnc(C3CC(=O)N(c4ccc(Cl)cc4)C3)o2)cc1.

What is the InChIKey of N-[5-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2-(4-ethylphenoxy)acetamide?

The InChIKey is GOOLLTYQBKAWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O4/c1-2-14-3-9-18(10-4-14)30-13-19(28)24-22-26-25-21(31-22)15-11-20(29)27(12-15)17-7-5-16(23)6-8-17/h3-10,15H,2,11-13H2,1H3,(H,24,26,28).

What are the key properties of N-[5-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2-(4-ethylphenoxy)acetamide?

N-[5-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2-(4-ethylphenoxy)acetamide has a molecular weight of 440.89 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2-(4-ethylphenoxy)acetamide is sourced from PubChem (CID 50837538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).