methyl N-[[3-[4-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate

C21H23FN4O6S — CID 68940310

IUPACmethyl N-[[3-[4-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
SMILESCOC(=O)NCC1CN(c2ccc(-c3ccc(N4CCS(=O)(=O)CC4)nc3)c(F)c2)C(=O)O1
InChIInChI=1S/C21H23FN4O6S/c1-31-20(27)24-12-16-13-26(21(28)32-16)15-3-4-17(18(22)10-15)14-2-5-19(23-11-14)25-6-8-33(29,30)9-7-25/h2-5,10-11,16H,6-9,12-13H2,1H3,(H,24,27)
InChIKeyYCWHKUPXKNUXAC-UHFFFAOYSA-N
MW478.50 g/mol
LogP1.80
Rot. Bonds5

About methyl N-[[3-[4-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate

methyl N-[[3-[4-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate (PubChem CID 68940310) has the molecular formula C21H23FN4O6S and a molecular weight of 478.50 g/mol. Its IUPAC name is methyl N-[[3-[4-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[[3-[4-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
PubChem CID68940310
Molecular FormulaC21H23FN4O6S
Molecular Weight478.50 g/mol
Exact Mass478.13
IUPAC Namemethyl N-[[3-[4-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
SMILESCOC(=O)NCC1CN(c2ccc(-c3ccc(N4CCS(=O)(=O)CC4)nc3)c(F)c2)C(=O)O1
InChIInChI=1S/C21H23FN4O6S/c1-31-20(27)24-12-16-13-26(21(28)32-16)15-3-4-17(18(22)10-15)14-2-5-19(23-11-14)25-6-8-33(29,30)9-7-25/h2-5,10-11,16H,6-9,12-13H2,1H3,(H,24,27)
InChIKeyYCWHKUPXKNUXAC-UHFFFAOYSA-N
XLogP1.80
TPSA118.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.50
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl N-[[3-[4-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl N-[[3-[4-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate?
The IUPAC name of methyl N-[[3-[4-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate (CID 68940310) is methyl N-[[3-[4-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate.
What is the SMILES notation for methyl N-[[3-[4-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate?
The canonical SMILES for methyl N-[[3-[4-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate is COC(=O)NCC1CN(c2ccc(-c3ccc(N4CCS(=O)(=O)CC4)nc3)c(F)c2)C(=O)O1.
What is the InChIKey of methyl N-[[3-[4-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate?
The InChIKey is YCWHKUPXKNUXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O6S/c1-31-20(27)24-12-16-13-26(21(28)32-16)15-3-4-17(18(22)10-15)14-2-5-19(23-11-14)25-6-8-33(29,30)9-7-25/h2-5,10-11,16H,6-9,12-13H2,1H3,(H,24,27).
What are the key properties of methyl N-[[3-[4-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate?
methyl N-[[3-[4-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate has a molecular weight of 478.50 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[[3-[4-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate is sourced from PubChem (CID 68940310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).