3-[2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1,3-oxazolidin-2-one

C14H15N5O3S — CID 8879477

About 3-[2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1,3-oxazolidin-2-one

3-[2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1,3-oxazolidin-2-one (PubChem CID 8879477) has the molecular formula C14H15N5O3S and a molecular weight of 333.37 g/mol. Its IUPAC name is 3-[2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 3-[2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1,3-oxazolidin-2-one
• PubChem CID: 8879477
• Molecular Formula: C14H15N5O3S
• Molecular Weight: 333.37 g/mol
• Exact Mass: 333.09
• IUPAC Name: 3-[2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1,3-oxazolidin-2-one
• SMILES: CCn1c(SCC(=O)N2CCOC2=O)nnc1-c1ccncc1
• InChI: InChI=1S/C14H15N5O3S/c1-2-18-12(10-3-5-15-6-4-10)16-17-13(18)23-9-11(20)19-7-8-22-14(19)21/h3-6H,2,7-9H2,1H3
• InChIKey: PAGVGYGTGQZVTM-UHFFFAOYSA-N
• XLogP: 1.43
• TPSA: 90.21 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	333.37
LogP ≤ 5	1.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1,3-oxazolidin-2-one?

The IUPAC name of 3-[2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1,3-oxazolidin-2-one (CID 8879477) is 3-[2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1,3-oxazolidin-2-one.

What is the SMILES notation for 3-[2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1,3-oxazolidin-2-one?

The canonical SMILES for 3-[2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1,3-oxazolidin-2-one is CCn1c(SCC(=O)N2CCOC2=O)nnc1-c1ccncc1.

What is the InChIKey of 3-[2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1,3-oxazolidin-2-one?

The InChIKey is PAGVGYGTGQZVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O3S/c1-2-18-12(10-3-5-15-6-4-10)16-17-13(18)23-9-11(20)19-7-8-22-14(19)21/h3-6H,2,7-9H2,1H3.

What are the key properties of 3-[2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1,3-oxazolidin-2-one?

3-[2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1,3-oxazolidin-2-one has a molecular weight of 333.37 g/mol, XLogP of 1.43, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 8879477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).