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

C15H15ClN4O4S — CID 8849001

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

3-[2-[[5-[(4-chlorophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1,3-oxazolidin-2-one (PubChem CID 8849001) has the molecular formula C15H15ClN4O4S and a molecular weight of 382.83 g/mol. Its IUPAC name is 3-[2-[[5-[(4-chlorophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 3-[2-[[5-[(4-chlorophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1,3-oxazolidin-2-one
• PubChem CID: 8849001
• Molecular Formula: C15H15ClN4O4S
• Molecular Weight: 382.83 g/mol
• Exact Mass: 382.05
• IUPAC Name: 3-[2-[[5-[(4-chlorophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1,3-oxazolidin-2-one
• SMILES: Cn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)N1CCOC1=O
• InChI: InChI=1S/C15H15ClN4O4S/c1-19-12(8-24-11-4-2-10(16)3-5-11)17-18-14(19)25-9-13(21)20-6-7-23-15(20)22/h2-5H,6-9H2,1H3
• InChIKey: LIXRBPYRYHGJFO-UHFFFAOYSA-N
• XLogP: 2.12
• TPSA: 86.55 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.83
LogP ≤ 5	2.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 3-[2-[[5-[(4-chlorophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1,3-oxazolidin-2-one (CID 8849001) is 3-[2-[[5-[(4-chlorophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1,3-oxazolidin-2-one.

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

The canonical SMILES for 3-[2-[[5-[(4-chlorophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1,3-oxazolidin-2-one is Cn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)N1CCOC1=O.

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

The InChIKey is LIXRBPYRYHGJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O4S/c1-19-12(8-24-11-4-2-10(16)3-5-11)17-18-14(19)25-9-13(21)20-6-7-23-15(20)22/h2-5H,6-9H2,1H3.

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

3-[2-[[5-[(4-chlorophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1,3-oxazolidin-2-one has a molecular weight of 382.83 g/mol, XLogP of 2.12, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[[5-[(4-chlorophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 8849001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).