4-bromo-3-(2-oxo-1,3-oxazolidin-3-yl)benzoic acid

C10H8BrNO4 — CID 107813666

IUPAC4-bromo-3-(2-oxo-1,3-oxazolidin-3-yl)benzoic acid
SMILESO=C(O)c1ccc(Br)c(N2CCOC2=O)c1
InChIInChI=1S/C10H8BrNO4/c11-7-2-1-6(9(13)14)5-8(7)12-3-4-16-10(12)15/h1-2,5H,3-4H2,(H,13,14)
InChIKeyJITPOIFIVKOARV-UHFFFAOYSA-N
MW286.08 g/mol
LogP2.10
Rot. Bonds2

About 4-bromo-3-(2-oxo-1,3-oxazolidin-3-yl)benzoic acid

4-bromo-3-(2-oxo-1,3-oxazolidin-3-yl)benzoic acid (PubChem CID 107813666) has the molecular formula C10H8BrNO4 and a molecular weight of 286.08 g/mol. Its IUPAC name is 4-bromo-3-(2-oxo-1,3-oxazolidin-3-yl)benzoic acid.

Molecular Properties

Compound Name4-bromo-3-(2-oxo-1,3-oxazolidin-3-yl)benzoic acid
PubChem CID107813666
Molecular FormulaC10H8BrNO4
Molecular Weight286.08 g/mol
Exact Mass284.96
IUPAC Name4-bromo-3-(2-oxo-1,3-oxazolidin-3-yl)benzoic acid
SMILESO=C(O)c1ccc(Br)c(N2CCOC2=O)c1
InChIInChI=1S/C10H8BrNO4/c11-7-2-1-6(9(13)14)5-8(7)12-3-4-16-10(12)15/h1-2,5H,3-4H2,(H,13,14)
InChIKeyJITPOIFIVKOARV-UHFFFAOYSA-N
XLogP2.10
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.08
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-bromo-5-iodophenyl)-1,3-oxazolidin-2-one
CID 130498812
4-bromo-3-pyrrol-1-ylbenzoic acid
CID 107812762
3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-4-bromobenzoic acid
CID 168660591
3-(4-bromo-3-methylphenyl)-1,3-oxazolidin-2-one
CID 66817851
3-(4-bromo-3-chlorophenyl)-1,3-oxazolidin-2-one
CID 107612952
5-(2-oxo-1,3-oxazolidin-3-yl)pyridine-3-carboxylic acid
CID 63154635
2-bromo-5-carboxyphenolate
CID 54741926
4-bromo-3-(3-ethylazetidin-1-yl)benzoic acid
CID 107814419
3-(3-bromo-4-fluorophenyl)-1,3-oxazolidin-2-one
CID 104779667
4-bromo-3-(tetrazol-1-yl)benzoic acid
CID 107813624
4-[3-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-1-enyl]benzoic acid
CID 71937000
3-(4-bromo-3-fluorophenyl)-1,3-oxazolidin-2-one;methanesulfonic acid
CID 158400380

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(2-oxo-1,3-oxazolidin-3-yl)benzoic acid?
The IUPAC name of 4-bromo-3-(2-oxo-1,3-oxazolidin-3-yl)benzoic acid (CID 107813666) is 4-bromo-3-(2-oxo-1,3-oxazolidin-3-yl)benzoic acid.
What is the SMILES notation for 4-bromo-3-(2-oxo-1,3-oxazolidin-3-yl)benzoic acid?
The canonical SMILES for 4-bromo-3-(2-oxo-1,3-oxazolidin-3-yl)benzoic acid is O=C(O)c1ccc(Br)c(N2CCOC2=O)c1.
What is the InChIKey of 4-bromo-3-(2-oxo-1,3-oxazolidin-3-yl)benzoic acid?
The InChIKey is JITPOIFIVKOARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO4/c11-7-2-1-6(9(13)14)5-8(7)12-3-4-16-10(12)15/h1-2,5H,3-4H2,(H,13,14).
What are the key properties of 4-bromo-3-(2-oxo-1,3-oxazolidin-3-yl)benzoic acid?
4-bromo-3-(2-oxo-1,3-oxazolidin-3-yl)benzoic acid has a molecular weight of 286.08 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(2-oxo-1,3-oxazolidin-3-yl)benzoic acid is sourced from PubChem (CID 107813666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).