4-[3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carbonyl]-1-phenylpyrrolidin-2-one

C24H24N4O4 — CID 121097583

About 4-[3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carbonyl]-1-phenylpyrrolidin-2-one

4-[3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carbonyl]-1-phenylpyrrolidin-2-one (PubChem CID 121097583) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is 4-[3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carbonyl]-1-phenylpyrrolidin-2-one.

Molecular Properties

• Compound Name: 4-[3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carbonyl]-1-phenylpyrrolidin-2-one
• PubChem CID: 121097583
• Molecular Formula: C24H24N4O4
• Molecular Weight: 432.48 g/mol
• Exact Mass: 432.18
• IUPAC Name: 4-[3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carbonyl]-1-phenylpyrrolidin-2-one
• SMILES: COc1ccccc1Cc1noc(C2CN(C(=O)C3CC(=O)N(c4ccccc4)C3)C2)n1
• InChI: InChI=1S/C24H24N4O4/c1-31-20-10-6-5-7-16(20)11-21-25-23(32-26-21)18-13-27(14-18)24(30)17-12-22(29)28(15-17)19-8-3-2-4-9-19/h2-10,17-18H,11-15H2,1H3
• InChIKey: PESZMWQOOXOHRT-UHFFFAOYSA-N
• XLogP: 2.65
• TPSA: 88.77 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.48
LogP ≤ 5	2.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carbonyl]-1-phenylpyrrolidin-2-one?

The IUPAC name of 4-[3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carbonyl]-1-phenylpyrrolidin-2-one (CID 121097583) is 4-[3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carbonyl]-1-phenylpyrrolidin-2-one.

What is the SMILES notation for 4-[3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carbonyl]-1-phenylpyrrolidin-2-one?

The canonical SMILES for 4-[3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carbonyl]-1-phenylpyrrolidin-2-one is COc1ccccc1Cc1noc(C2CN(C(=O)C3CC(=O)N(c4ccccc4)C3)C2)n1.

What is the InChIKey of 4-[3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carbonyl]-1-phenylpyrrolidin-2-one?

The InChIKey is PESZMWQOOXOHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4/c1-31-20-10-6-5-7-16(20)11-21-25-23(32-26-21)18-13-27(14-18)24(30)17-12-22(29)28(15-17)19-8-3-2-4-9-19/h2-10,17-18H,11-15H2,1H3.

What are the key properties of 4-[3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carbonyl]-1-phenylpyrrolidin-2-one?

4-[3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carbonyl]-1-phenylpyrrolidin-2-one has a molecular weight of 432.48 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carbonyl]-1-phenylpyrrolidin-2-one is sourced from PubChem (CID 121097583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).