[3-[3,5-difluoro-4-(1-oxo-1,4-thiazinan-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl N-methylcarbamate

C16H19F2N3O5S — CID 166925763

IUPAC[3-[3,5-difluoro-4-(1-oxo-1,4-thiazinan-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl N-methylcarbamate
SMILESCNC(=O)OCC1CN(c2cc(F)c(N3CCS(=O)CC3)c(F)c2)C(=O)O1
InChIInChI=1S/C16H19F2N3O5S/c1-19-15(22)25-9-11-8-21(16(23)26-11)10-6-12(17)14(13(18)7-10)20-2-4-27(24)5-3-20/h6-7,11H,2-5,8-9H2,1H3,(H,19,22)
InChIKeySLVYTGLONVPPOC-UHFFFAOYSA-N
MW403.41 g/mol
LogP1.21
Rot. Bonds4

About [3-[3,5-difluoro-4-(1-oxo-1,4-thiazinan-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl N-methylcarbamate

[3-[3,5-difluoro-4-(1-oxo-1,4-thiazinan-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl N-methylcarbamate (PubChem CID 166925763) has the molecular formula C16H19F2N3O5S and a molecular weight of 403.41 g/mol. Its IUPAC name is [3-[3,5-difluoro-4-(1-oxo-1,4-thiazinan-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl N-methylcarbamate.

Molecular Properties

Compound Name[3-[3,5-difluoro-4-(1-oxo-1,4-thiazinan-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl N-methylcarbamate
PubChem CID166925763
Molecular FormulaC16H19F2N3O5S
Molecular Weight403.41 g/mol
Exact Mass403.10
IUPAC Name[3-[3,5-difluoro-4-(1-oxo-1,4-thiazinan-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl N-methylcarbamate
SMILESCNC(=O)OCC1CN(c2cc(F)c(N3CCS(=O)CC3)c(F)c2)C(=O)O1
InChIInChI=1S/C16H19F2N3O5S/c1-19-15(22)25-9-11-8-21(16(23)26-11)10-6-12(17)14(13(18)7-10)20-2-4-27(24)5-3-20/h6-7,11H,2-5,8-9H2,1H3,(H,19,22)
InChIKeySLVYTGLONVPPOC-UHFFFAOYSA-N
XLogP1.21
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.41
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

[3-[3-fluoro-4-(1-oxo-1,4-thiazinan-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl N-methylcarbamate
CID 166925768
[3-[3,5-difluoro-4-[4-[2-(methylamino)acetyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl ethyl carbonate
CID 143999526
N-[[3-[3,5-difluoro-4-(6-oxo-1,3,3a,4,5,7,8,8a-octahydrothiepino[4,5-c]pyrrol-2-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 155327147
(5S)-3-[4-(4-acetylpiperazin-1-yl)-3,5-difluorophenyl]-5-ethyl-1,3-oxazolidin-2-one
CID 59953051
N-[[(5S)-3-[4-(4-aminopiperidin-1-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 68943046
3-[3,5-difluoro-4-[4-[2-(methylamino)acetyl]piperazin-1-yl]phenyl]-5-(methylaminomethyl)-1,3-oxazolidin-2-one
CID 143999318
[3-[3,5-difluoro-4-(4-hydroxypiperidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate
CID 72659431
N-[[3-[3-fluoro-4-(1-oxo-1,4-thiazinan-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 21473386
ethyl N-[[3-[3,5-difluoro-4-[4-[2-(methylamino)acetyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
CID 143999408
(5R)-3-(3,5-difluoro-4-morpholin-4-ylphenyl)-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide
CID 10215354
3-[3-fluoro-4-(1-oxo-1,4-thiazinan-4-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 22943616
(5S)-3-[3,5-difluoro-4-(2-oxo-2λ4-thia-6-azaspiro[3.3]heptan-6-yl)phenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one
CID 147401622

Frequently Asked Questions

What is the IUPAC name of [3-[3,5-difluoro-4-(1-oxo-1,4-thiazinan-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl N-methylcarbamate?
The IUPAC name of [3-[3,5-difluoro-4-(1-oxo-1,4-thiazinan-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl N-methylcarbamate (CID 166925763) is [3-[3,5-difluoro-4-(1-oxo-1,4-thiazinan-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl N-methylcarbamate.
What is the SMILES notation for [3-[3,5-difluoro-4-(1-oxo-1,4-thiazinan-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl N-methylcarbamate?
The canonical SMILES for [3-[3,5-difluoro-4-(1-oxo-1,4-thiazinan-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl N-methylcarbamate is CNC(=O)OCC1CN(c2cc(F)c(N3CCS(=O)CC3)c(F)c2)C(=O)O1.
What is the InChIKey of [3-[3,5-difluoro-4-(1-oxo-1,4-thiazinan-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl N-methylcarbamate?
The InChIKey is SLVYTGLONVPPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3O5S/c1-19-15(22)25-9-11-8-21(16(23)26-11)10-6-12(17)14(13(18)7-10)20-2-4-27(24)5-3-20/h6-7,11H,2-5,8-9H2,1H3,(H,19,22).
What are the key properties of [3-[3,5-difluoro-4-(1-oxo-1,4-thiazinan-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl N-methylcarbamate?
[3-[3,5-difluoro-4-(1-oxo-1,4-thiazinan-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl N-methylcarbamate has a molecular weight of 403.41 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3,5-difluoro-4-(1-oxo-1,4-thiazinan-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl N-methylcarbamate is sourced from PubChem (CID 166925763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).