[1-(4-methoxyphenyl)cyclopropyl]-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone

C24H25N3O3 — CID 53206111

About [1-(4-methoxyphenyl)cyclopropyl]-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone

[1-(4-methoxyphenyl)cyclopropyl]-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone (PubChem CID 53206111) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is [1-(4-methoxyphenyl)cyclopropyl]-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: [1-(4-methoxyphenyl)cyclopropyl]-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
• PubChem CID: 53206111
• Molecular Formula: C24H25N3O3
• Molecular Weight: 403.48 g/mol
• Exact Mass: 403.19
• IUPAC Name: [1-(4-methoxyphenyl)cyclopropyl]-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
• SMILES: COc1ccc(C2(C(=O)N3CCCC3c3nc(-c4ccccc4C)no3)CC2)cc1
• InChI: InChI=1S/C24H25N3O3/c1-16-6-3-4-7-19(16)21-25-22(30-26-21)20-8-5-15-27(20)23(28)24(13-14-24)17-9-11-18(29-2)12-10-17/h3-4,6-7,9-12,20H,5,8,13-15H2,1-2H3
• InChIKey: LGKJPXURBOTSBN-UHFFFAOYSA-N
• XLogP: 4.45
• TPSA: 68.46 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	403.48
LogP ≤ 5	4.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxyphenyl)cyclopropyl]-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone?

The IUPAC name of [1-(4-methoxyphenyl)cyclopropyl]-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone (CID 53206111) is [1-(4-methoxyphenyl)cyclopropyl]-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone.

What is the SMILES notation for [1-(4-methoxyphenyl)cyclopropyl]-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone?

The canonical SMILES for [1-(4-methoxyphenyl)cyclopropyl]-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone is COc1ccc(C2(C(=O)N3CCCC3c3nc(-c4ccccc4C)no3)CC2)cc1.

What is the InChIKey of [1-(4-methoxyphenyl)cyclopropyl]-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone?

The InChIKey is LGKJPXURBOTSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-16-6-3-4-7-19(16)21-25-22(30-26-21)20-8-5-15-27(20)23(28)24(13-14-24)17-9-11-18(29-2)12-10-17/h3-4,6-7,9-12,20H,5,8,13-15H2,1-2H3.

What are the key properties of [1-(4-methoxyphenyl)cyclopropyl]-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone?

[1-(4-methoxyphenyl)cyclopropyl]-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone has a molecular weight of 403.48 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [1-(4-methoxyphenyl)cyclopropyl]-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 53206111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).