N-cyclopentyl-5-oxo-1-[3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolidine-3-carboxamide

C22H22N4O3S — CID 46321765

About N-cyclopentyl-5-oxo-1-[3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolidine-3-carboxamide

N-cyclopentyl-5-oxo-1-[3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 46321765) has the molecular formula C22H22N4O3S and a molecular weight of 422.51 g/mol. Its IUPAC name is N-cyclopentyl-5-oxo-1-[3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: N-cyclopentyl-5-oxo-1-[3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolidine-3-carboxamide
• PubChem CID: 46321765
• Molecular Formula: C22H22N4O3S
• Molecular Weight: 422.51 g/mol
• Exact Mass: 422.14
• IUPAC Name: N-cyclopentyl-5-oxo-1-[3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolidine-3-carboxamide
• SMILES: O=C(NC1CCCC1)C1CC(=O)N(c2cccc(-c3noc(-c4cccs4)n3)c2)C1
• InChI: InChI=1S/C22H22N4O3S/c27-19-12-15(21(28)23-16-6-1-2-7-16)13-26(19)17-8-3-5-14(11-17)20-24-22(29-25-20)18-9-4-10-30-18/h3-5,8-11,15-16H,1-2,6-7,12-13H2,(H,23,28)
• InChIKey: YTYBFDQZMWAQBT-UHFFFAOYSA-N
• XLogP: 3.88
• TPSA: 88.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.51
LogP ≤ 5	3.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-oxo-1-[3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolidine-3-carboxamide?

The IUPAC name of N-cyclopentyl-5-oxo-1-[3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolidine-3-carboxamide (CID 46321765) is N-cyclopentyl-5-oxo-1-[3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolidine-3-carboxamide.

What is the SMILES notation for N-cyclopentyl-5-oxo-1-[3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolidine-3-carboxamide?

The canonical SMILES for N-cyclopentyl-5-oxo-1-[3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolidine-3-carboxamide is O=C(NC1CCCC1)C1CC(=O)N(c2cccc(-c3noc(-c4cccs4)n3)c2)C1.

What is the InChIKey of N-cyclopentyl-5-oxo-1-[3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolidine-3-carboxamide?

The InChIKey is YTYBFDQZMWAQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3S/c27-19-12-15(21(28)23-16-6-1-2-7-16)13-26(19)17-8-3-5-14(11-17)20-24-22(29-25-20)18-9-4-10-30-18/h3-5,8-11,15-16H,1-2,6-7,12-13H2,(H,23,28).

What are the key properties of N-cyclopentyl-5-oxo-1-[3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolidine-3-carboxamide?

N-cyclopentyl-5-oxo-1-[3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 422.51 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopentyl-5-oxo-1-[3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 46321765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).