4-fluoro-3-[(2-oxo-1,3-oxazolidin-5-yl)methylsulfanyl]benzoic acid

C11H10FNO4S — CID 80556583

IUPAC4-fluoro-3-[(2-oxo-1,3-oxazolidin-5-yl)methylsulfanyl]benzoic acid
SMILESO=C1NCC(CSc2cc(C(=O)O)ccc2F)O1
InChIInChI=1S/C11H10FNO4S/c12-8-2-1-6(10(14)15)3-9(8)18-5-7-4-13-11(16)17-7/h1-3,7H,4-5H2,(H,13,16)(H,14,15)
InChIKeyWYYQQGPVGBCSGE-UHFFFAOYSA-N
MW271.27 g/mol
LogP1.72
Rot. Bonds4

About 4-fluoro-3-[(2-oxo-1,3-oxazolidin-5-yl)methylsulfanyl]benzoic acid

4-fluoro-3-[(2-oxo-1,3-oxazolidin-5-yl)methylsulfanyl]benzoic acid (PubChem CID 80556583) has the molecular formula C11H10FNO4S and a molecular weight of 271.27 g/mol. Its IUPAC name is 4-fluoro-3-[(2-oxo-1,3-oxazolidin-5-yl)methylsulfanyl]benzoic acid.

Molecular Properties

Compound Name4-fluoro-3-[(2-oxo-1,3-oxazolidin-5-yl)methylsulfanyl]benzoic acid
PubChem CID80556583
Molecular FormulaC11H10FNO4S
Molecular Weight271.27 g/mol
Exact Mass271.03
IUPAC Name4-fluoro-3-[(2-oxo-1,3-oxazolidin-5-yl)methylsulfanyl]benzoic acid
SMILESO=C1NCC(CSc2cc(C(=O)O)ccc2F)O1
InChIInChI=1S/C11H10FNO4S/c12-8-2-1-6(10(14)15)3-9(8)18-5-7-4-13-11(16)17-7/h1-3,7H,4-5H2,(H,13,16)(H,14,15)
InChIKeyWYYQQGPVGBCSGE-UHFFFAOYSA-N
XLogP1.72
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[(2-oxo-1,3-oxazolidin-5-yl)methylsulfanyl]benzoic acid?
The IUPAC name of 4-fluoro-3-[(2-oxo-1,3-oxazolidin-5-yl)methylsulfanyl]benzoic acid (CID 80556583) is 4-fluoro-3-[(2-oxo-1,3-oxazolidin-5-yl)methylsulfanyl]benzoic acid.
What is the SMILES notation for 4-fluoro-3-[(2-oxo-1,3-oxazolidin-5-yl)methylsulfanyl]benzoic acid?
The canonical SMILES for 4-fluoro-3-[(2-oxo-1,3-oxazolidin-5-yl)methylsulfanyl]benzoic acid is O=C1NCC(CSc2cc(C(=O)O)ccc2F)O1.
What is the InChIKey of 4-fluoro-3-[(2-oxo-1,3-oxazolidin-5-yl)methylsulfanyl]benzoic acid?
The InChIKey is WYYQQGPVGBCSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO4S/c12-8-2-1-6(10(14)15)3-9(8)18-5-7-4-13-11(16)17-7/h1-3,7H,4-5H2,(H,13,16)(H,14,15).
What are the key properties of 4-fluoro-3-[(2-oxo-1,3-oxazolidin-5-yl)methylsulfanyl]benzoic acid?
4-fluoro-3-[(2-oxo-1,3-oxazolidin-5-yl)methylsulfanyl]benzoic acid has a molecular weight of 271.27 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[(2-oxo-1,3-oxazolidin-5-yl)methylsulfanyl]benzoic acid is sourced from PubChem (CID 80556583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).