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

C26H28N4O4 — CID 121097589

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

1-(3,4-dimethylphenyl)-4-[3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 121097589) has the molecular formula C26H28N4O4 and a molecular weight of 460.53 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-4-[3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: 1-(3,4-dimethylphenyl)-4-[3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carbonyl]pyrrolidin-2-one
• PubChem CID: 121097589
• Molecular Formula: C26H28N4O4
• Molecular Weight: 460.53 g/mol
• Exact Mass: 460.21
• IUPAC Name: 1-(3,4-dimethylphenyl)-4-[3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carbonyl]pyrrolidin-2-one
• SMILES: COc1ccccc1Cc1noc(C2CN(C(=O)C3CC(=O)N(c4ccc(C)c(C)c4)C3)C2)n1
• InChI: InChI=1S/C26H28N4O4/c1-16-8-9-21(10-17(16)2)30-15-19(12-24(30)31)26(32)29-13-20(14-29)25-27-23(28-34-25)11-18-6-4-5-7-22(18)33-3/h4-10,19-20H,11-15H2,1-3H3
• InChIKey: MIOLBMYUMGOFMH-UHFFFAOYSA-N
• XLogP: 3.26
• TPSA: 88.77 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.53
LogP ≤ 5	3.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-(3,4-dimethylphenyl)-4-[3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carbonyl]pyrrolidin-2-one (CID 121097589) is 1-(3,4-dimethylphenyl)-4-[3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carbonyl]pyrrolidin-2-one.

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

The canonical SMILES for 1-(3,4-dimethylphenyl)-4-[3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carbonyl]pyrrolidin-2-one is COc1ccccc1Cc1noc(C2CN(C(=O)C3CC(=O)N(c4ccc(C)c(C)c4)C3)C2)n1.

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

The InChIKey is MIOLBMYUMGOFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O4/c1-16-8-9-21(10-17(16)2)30-15-19(12-24(30)31)26(32)29-13-20(14-29)25-27-23(28-34-25)11-18-6-4-5-7-22(18)33-3/h4-10,19-20H,11-15H2,1-3H3.

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

1-(3,4-dimethylphenyl)-4-[3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 460.53 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3,4-dimethylphenyl)-4-[3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 121097589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).