3-bromo-2-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzoic acid

C11H10BrNO5 — CID 61391183

IUPAC3-bromo-2-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzoic acid
SMILESO=C1NCC(COc2c(Br)cccc2C(=O)O)O1
InChIInChI=1S/C11H10BrNO5/c12-8-3-1-2-7(10(14)15)9(8)17-5-6-4-13-11(16)18-6/h1-3,6H,4-5H2,(H,13,16)(H,14,15)
InChIKeyRMGISNGNFOMQLJ-UHFFFAOYSA-N
MW316.11 g/mol
LogP1.63
Rot. Bonds4

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

3-bromo-2-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzoic acid (PubChem CID 61391183) has the molecular formula C11H10BrNO5 and a molecular weight of 316.11 g/mol. Its IUPAC name is 3-bromo-2-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzoic acid.

Molecular Properties

Compound Name3-bromo-2-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzoic acid
PubChem CID61391183
Molecular FormulaC11H10BrNO5
Molecular Weight316.11 g/mol
Exact Mass314.97
IUPAC Name3-bromo-2-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzoic acid
SMILESO=C1NCC(COc2c(Br)cccc2C(=O)O)O1
InChIInChI=1S/C11H10BrNO5/c12-8-3-1-2-7(10(14)15)9(8)17-5-6-4-13-11(16)18-6/h1-3,6H,4-5H2,(H,13,16)(H,14,15)
InChIKeyRMGISNGNFOMQLJ-UHFFFAOYSA-N
XLogP1.63
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.11
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-2-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzoic acid
CID 54929992
3-chloro-2-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzoic acid
CID 112612064
5-[(2,6-dimethoxyphenoxy)methyl]-1,3-oxazolidin-2-one
CID 21423647
3-bromo-2-[(4-methylmorpholin-2-yl)methoxy]benzoic acid
CID 79171337
2-fluoro-4-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzoic acid
CID 107675374
5-[(2-acetylnaphthalen-1-yl)oxymethyl]-1,3-oxazolidin-2-one
CID 43388559
(5R)-5-[[2,6-dibromo-4-[(5S)-2-oxo-1,3-oxazolidin-5-yl]phenoxy]methyl]-1,3-oxazolidin-2-one
CID 162996076
(5S)-5-[[4-[[(5R)-2-oxo-1,3-oxazolidin-5-yl]methoxy]phenoxy]methyl]-1,3-oxazolidin-2-one
CID 950474
(5R)-5-(naphthalen-1-yloxymethyl)-1,3-oxazolidin-2-one
CID 754370
3-bromo-2-(cyclopropylmethoxymethoxy)benzoic acid
CID 106929648
2-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]-4-propoxybenzoic acid
CID 43472370
3-bromo-2-(2-hydroxyethoxy)benzoic acid
CID 61391225

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzoic acid?
The IUPAC name of 3-bromo-2-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzoic acid (CID 61391183) is 3-bromo-2-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzoic acid.
What is the SMILES notation for 3-bromo-2-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzoic acid?
The canonical SMILES for 3-bromo-2-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzoic acid is O=C1NCC(COc2c(Br)cccc2C(=O)O)O1.
What is the InChIKey of 3-bromo-2-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzoic acid?
The InChIKey is RMGISNGNFOMQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO5/c12-8-3-1-2-7(10(14)15)9(8)17-5-6-4-13-11(16)18-6/h1-3,6H,4-5H2,(H,13,16)(H,14,15).
What are the key properties of 3-bromo-2-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzoic acid?
3-bromo-2-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzoic acid has a molecular weight of 316.11 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzoic acid is sourced from PubChem (CID 61391183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).