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

C11H10FNO4S — CID 113371684

IUPAC2-fluoro-5-[(2-oxo-1,3-oxazolidin-5-yl)methylsulfanyl]benzoic acid
SMILESO=C1NCC(CSc2ccc(F)c(C(=O)O)c2)O1
InChIInChI=1S/C11H10FNO4S/c12-9-2-1-7(3-8(9)10(14)15)18-5-6-4-13-11(16)17-6/h1-3,6H,4-5H2,(H,13,16)(H,14,15)
InChIKeyZMMSVWSAODDPOT-UHFFFAOYSA-N
MW271.27 g/mol
LogP1.72
Rot. Bonds4

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

2-fluoro-5-[(2-oxo-1,3-oxazolidin-5-yl)methylsulfanyl]benzoic acid (PubChem CID 113371684) has the molecular formula C11H10FNO4S and a molecular weight of 271.27 g/mol. Its IUPAC name is 2-fluoro-5-[(2-oxo-1,3-oxazolidin-5-yl)methylsulfanyl]benzoic acid.

Molecular Properties

Compound Name2-fluoro-5-[(2-oxo-1,3-oxazolidin-5-yl)methylsulfanyl]benzoic acid
PubChem CID113371684
Molecular FormulaC11H10FNO4S
Molecular Weight271.27 g/mol
Exact Mass271.03
IUPAC Name2-fluoro-5-[(2-oxo-1,3-oxazolidin-5-yl)methylsulfanyl]benzoic acid
SMILESO=C1NCC(CSc2ccc(F)c(C(=O)O)c2)O1
InChIInChI=1S/C11H10FNO4S/c12-9-2-1-7(3-8(9)10(14)15)18-5-6-4-13-11(16)17-6/h1-3,6H,4-5H2,(H,13,16)(H,14,15)
InChIKeyZMMSVWSAODDPOT-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 2-fluoro-5-[(2-oxo-1,3-oxazolidin-5-yl)methylsulfanyl]benzoic acid?
The IUPAC name of 2-fluoro-5-[(2-oxo-1,3-oxazolidin-5-yl)methylsulfanyl]benzoic acid (CID 113371684) is 2-fluoro-5-[(2-oxo-1,3-oxazolidin-5-yl)methylsulfanyl]benzoic acid.
What is the SMILES notation for 2-fluoro-5-[(2-oxo-1,3-oxazolidin-5-yl)methylsulfanyl]benzoic acid?
The canonical SMILES for 2-fluoro-5-[(2-oxo-1,3-oxazolidin-5-yl)methylsulfanyl]benzoic acid is O=C1NCC(CSc2ccc(F)c(C(=O)O)c2)O1.
What is the InChIKey of 2-fluoro-5-[(2-oxo-1,3-oxazolidin-5-yl)methylsulfanyl]benzoic acid?
The InChIKey is ZMMSVWSAODDPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO4S/c12-9-2-1-7(3-8(9)10(14)15)18-5-6-4-13-11(16)17-6/h1-3,6H,4-5H2,(H,13,16)(H,14,15).
What are the key properties of 2-fluoro-5-[(2-oxo-1,3-oxazolidin-5-yl)methylsulfanyl]benzoic acid?
2-fluoro-5-[(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 2-fluoro-5-[(2-oxo-1,3-oxazolidin-5-yl)methylsulfanyl]benzoic acid is sourced from PubChem (CID 113371684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).