2-(3-methoxyphenyl)-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]acetamide

C21H20N4O4 — CID 50837352

About 2-(3-methoxyphenyl)-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]acetamide

2-(3-methoxyphenyl)-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]acetamide (PubChem CID 50837352) has the molecular formula C21H20N4O4 and a molecular weight of 392.42 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-(3-methoxyphenyl)-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]acetamide
• PubChem CID: 50837352
• Molecular Formula: C21H20N4O4
• Molecular Weight: 392.42 g/mol
• Exact Mass: 392.15
• IUPAC Name: 2-(3-methoxyphenyl)-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]acetamide
• SMILES: COc1cccc(CC(=O)Nc2nnc(C3CC(=O)N(c4ccccc4)C3)o2)c1
• InChI: InChI=1S/C21H20N4O4/c1-28-17-9-5-6-14(10-17)11-18(26)22-21-24-23-20(29-21)15-12-19(27)25(13-15)16-7-3-2-4-8-16/h2-10,15H,11-13H2,1H3,(H,22,24,26)
• InChIKey: SHLWQCZVHVTBJG-UHFFFAOYSA-N
• XLogP: 2.78
• TPSA: 97.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.42
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-(3-methoxyphenyl)-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]acetamide (CID 50837352) is 2-(3-methoxyphenyl)-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]acetamide.

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

The canonical SMILES for 2-(3-methoxyphenyl)-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]acetamide is COc1cccc(CC(=O)Nc2nnc(C3CC(=O)N(c4ccccc4)C3)o2)c1.

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

The InChIKey is SHLWQCZVHVTBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O4/c1-28-17-9-5-6-14(10-17)11-18(26)22-21-24-23-20(29-21)15-12-19(27)25(13-15)16-7-3-2-4-8-16/h2-10,15H,11-13H2,1H3,(H,22,24,26).

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

2-(3-methoxyphenyl)-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]acetamide has a molecular weight of 392.42 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-methoxyphenyl)-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]acetamide is sourced from PubChem (CID 50837352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).