methyl N-[[3-[3-fluoro-4-(5-oxo-4H-1,3,4-thiadiazin-2-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate

C15H15FN4O5S — CID 23529051

About methyl N-[[3-[3-fluoro-4-(5-oxo-4H-1,3,4-thiadiazin-2-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate

methyl N-[[3-[3-fluoro-4-(5-oxo-4H-1,3,4-thiadiazin-2-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate (PubChem CID 23529051) has the molecular formula C15H15FN4O5S and a molecular weight of 382.37 g/mol. Its IUPAC name is methyl N-[[3-[3-fluoro-4-(5-oxo-4H-1,3,4-thiadiazin-2-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate.

Molecular Properties

• Compound Name: methyl N-[[3-[3-fluoro-4-(5-oxo-4H-1,3,4-thiadiazin-2-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
• PubChem CID: 23529051
• Molecular Formula: C15H15FN4O5S
• Molecular Weight: 382.37 g/mol
• Exact Mass: 382.07
• IUPAC Name: methyl N-[[3-[3-fluoro-4-(5-oxo-4H-1,3,4-thiadiazin-2-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
• SMILES: COC(=O)NCC1CN(c2ccc(C3=NNC(=O)CS3)c(F)c2)C(=O)O1
• InChI: InChI=1S/C15H15FN4O5S/c1-24-14(22)17-5-9-6-20(15(23)25-9)8-2-3-10(11(16)4-8)13-19-18-12(21)7-26-13/h2-4,9H,5-7H2,1H3,(H,17,22)(H,18,21)
• InChIKey: SFXQWNGHPVQHGQ-UHFFFAOYSA-N
• XLogP: 1.03
• TPSA: 109.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.37
LogP ≤ 5	1.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of methyl N-[[3-[3-fluoro-4-(5-oxo-4H-1,3,4-thiadiazin-2-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate?

The IUPAC name of methyl N-[[3-[3-fluoro-4-(5-oxo-4H-1,3,4-thiadiazin-2-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate (CID 23529051) is methyl N-[[3-[3-fluoro-4-(5-oxo-4H-1,3,4-thiadiazin-2-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate.

What is the SMILES notation for methyl N-[[3-[3-fluoro-4-(5-oxo-4H-1,3,4-thiadiazin-2-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate?

The canonical SMILES for methyl N-[[3-[3-fluoro-4-(5-oxo-4H-1,3,4-thiadiazin-2-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate is COC(=O)NCC1CN(c2ccc(C3=NNC(=O)CS3)c(F)c2)C(=O)O1.

What is the InChIKey of methyl N-[[3-[3-fluoro-4-(5-oxo-4H-1,3,4-thiadiazin-2-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate?

The InChIKey is SFXQWNGHPVQHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O5S/c1-24-14(22)17-5-9-6-20(15(23)25-9)8-2-3-10(11(16)4-8)13-19-18-12(21)7-26-13/h2-4,9H,5-7H2,1H3,(H,17,22)(H,18,21).

What are the key properties of methyl N-[[3-[3-fluoro-4-(5-oxo-4H-1,3,4-thiadiazin-2-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate?

methyl N-[[3-[3-fluoro-4-(5-oxo-4H-1,3,4-thiadiazin-2-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate has a molecular weight of 382.37 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methyl N-[[3-[3-fluoro-4-(5-oxo-4H-1,3,4-thiadiazin-2-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate is sourced from PubChem (CID 23529051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).