5-oxo-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide

C17H16N6O3S — CID 155917301

About 5-oxo-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide

5-oxo-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide (PubChem CID 155917301) has the molecular formula C17H16N6O3S and a molecular weight of 384.42 g/mol. Its IUPAC name is 5-oxo-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: 5-oxo-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
• PubChem CID: 155917301
• Molecular Formula: C17H16N6O3S
• Molecular Weight: 384.42 g/mol
• Exact Mass: 384.10
• IUPAC Name: 5-oxo-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
• SMILES: O=C(NCCc1nc(-c2cccnc2)no1)C1CC(=O)N(c2nccs2)C1
• InChI: InChI=1S/C17H16N6O3S/c24-14-8-12(10-23(14)17-20-6-7-27-17)16(25)19-5-3-13-21-15(22-26-13)11-2-1-4-18-9-11/h1-2,4,6-7,9,12H,3,5,8,10H2,(H,19,25)
• InChIKey: UTRDUPYPJUSOTR-UHFFFAOYSA-N
• XLogP: 1.30
• TPSA: 114.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.42
LogP ≤ 5	1.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 5-oxo-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide (CID 155917301) is 5-oxo-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide.

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

The canonical SMILES for 5-oxo-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide is O=C(NCCc1nc(-c2cccnc2)no1)C1CC(=O)N(c2nccs2)C1.

What is the InChIKey of 5-oxo-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?

The InChIKey is UTRDUPYPJUSOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O3S/c24-14-8-12(10-23(14)17-20-6-7-27-17)16(25)19-5-3-13-21-15(22-26-13)11-2-1-4-18-9-11/h1-2,4,6-7,9,12H,3,5,8,10H2,(H,19,25).

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

5-oxo-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 384.42 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-oxo-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 155917301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).