[3-(5-methylfuran-2-yl)phenyl]-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone

C21H23N3O3 — CID 70744122

About [3-(5-methylfuran-2-yl)phenyl]-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone

[3-(5-methylfuran-2-yl)phenyl]-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone (PubChem CID 70744122) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is [3-(5-methylfuran-2-yl)phenyl]-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: [3-(5-methylfuran-2-yl)phenyl]-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
• PubChem CID: 70744122
• Molecular Formula: C21H23N3O3
• Molecular Weight: 365.43 g/mol
• Exact Mass: 365.17
• IUPAC Name: [3-(5-methylfuran-2-yl)phenyl]-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
• SMILES: Cc1ccc(-c2cccc(C(=O)N3CCCC3c3nc(C(C)C)no3)c2)o1
• InChI: InChI=1S/C21H23N3O3/c1-13(2)19-22-20(27-23-19)17-8-5-11-24(17)21(25)16-7-4-6-15(12-16)18-10-9-14(3)26-18/h4,6-7,9-10,12-13,17H,5,8,11H2,1-3H3
• InChIKey: XVBZICYUSXFKHS-UHFFFAOYSA-N
• XLogP: 4.74
• TPSA: 72.37 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.43
LogP ≤ 5	4.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [3-(5-methylfuran-2-yl)phenyl]-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?

The IUPAC name of [3-(5-methylfuran-2-yl)phenyl]-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone (CID 70744122) is [3-(5-methylfuran-2-yl)phenyl]-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone.

What is the SMILES notation for [3-(5-methylfuran-2-yl)phenyl]-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?

The canonical SMILES for [3-(5-methylfuran-2-yl)phenyl]-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone is Cc1ccc(-c2cccc(C(=O)N3CCCC3c3nc(C(C)C)no3)c2)o1.

What is the InChIKey of [3-(5-methylfuran-2-yl)phenyl]-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?

The InChIKey is XVBZICYUSXFKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-13(2)19-22-20(27-23-19)17-8-5-11-24(17)21(25)16-7-4-6-15(12-16)18-10-9-14(3)26-18/h4,6-7,9-10,12-13,17H,5,8,11H2,1-3H3.

What are the key properties of [3-(5-methylfuran-2-yl)phenyl]-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?

[3-(5-methylfuran-2-yl)phenyl]-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone has a molecular weight of 365.43 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(5-methylfuran-2-yl)phenyl]-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 70744122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).