3-[2-oxo-2-[(3R)-3-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethyl]-1,3-oxazolidin-2-one

C15H16N4O4S — CID 129416855

About 3-[2-oxo-2-[(3R)-3-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethyl]-1,3-oxazolidin-2-one

3-[2-oxo-2-[(3R)-3-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethyl]-1,3-oxazolidin-2-one (PubChem CID 129416855) has the molecular formula C15H16N4O4S and a molecular weight of 348.38 g/mol. Its IUPAC name is 3-[2-oxo-2-[(3R)-3-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 3-[2-oxo-2-[(3R)-3-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethyl]-1,3-oxazolidin-2-one
• PubChem CID: 129416855
• Molecular Formula: C15H16N4O4S
• Molecular Weight: 348.38 g/mol
• Exact Mass: 348.09
• IUPAC Name: 3-[2-oxo-2-[(3R)-3-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethyl]-1,3-oxazolidin-2-one
• SMILES: O=C(CN1CCOC1=O)N1CC[C@@H](c2noc(-c3ccsc3)n2)C1
• InChI: InChI=1S/C15H16N4O4S/c20-12(8-19-4-5-22-15(19)21)18-3-1-10(7-18)13-16-14(23-17-13)11-2-6-24-9-11/h2,6,9-10H,1,3-5,7-8H2/t10-/m1/s1
• InChIKey: IEMAIKVMSHYHMT-SNVBAGLBSA-N
• XLogP: 1.57
• TPSA: 88.77 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	348.38
LogP ≤ 5	1.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-2-[(3R)-3-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethyl]-1,3-oxazolidin-2-one?

The IUPAC name of 3-[2-oxo-2-[(3R)-3-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethyl]-1,3-oxazolidin-2-one (CID 129416855) is 3-[2-oxo-2-[(3R)-3-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethyl]-1,3-oxazolidin-2-one.

What is the SMILES notation for 3-[2-oxo-2-[(3R)-3-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethyl]-1,3-oxazolidin-2-one?

The canonical SMILES for 3-[2-oxo-2-[(3R)-3-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethyl]-1,3-oxazolidin-2-one is O=C(CN1CCOC1=O)N1CC[C@@H](c2noc(-c3ccsc3)n2)C1.

What is the InChIKey of 3-[2-oxo-2-[(3R)-3-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethyl]-1,3-oxazolidin-2-one?

The InChIKey is IEMAIKVMSHYHMT-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H16N4O4S/c20-12(8-19-4-5-22-15(19)21)18-3-1-10(7-18)13-16-14(23-17-13)11-2-6-24-9-11/h2,6,9-10H,1,3-5,7-8H2/t10-/m1/s1.

What are the key properties of 3-[2-oxo-2-[(3R)-3-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethyl]-1,3-oxazolidin-2-one?

3-[2-oxo-2-[(3R)-3-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethyl]-1,3-oxazolidin-2-one has a molecular weight of 348.38 g/mol, XLogP of 1.57, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-oxo-2-[(3R)-3-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 129416855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).