2-[2-(2-oxo-1,3-oxazolidin-3-yl)ethoxy]benzoic acid

C12H13NO5 — CID 43532506

IUPAC2-[2-(2-oxo-1,3-oxazolidin-3-yl)ethoxy]benzoic acid
SMILESO=C(O)c1ccccc1OCCN1CCOC1=O
InChIInChI=1S/C12H13NO5/c14-11(15)9-3-1-2-4-10(9)17-7-5-13-6-8-18-12(13)16/h1-4H,5-8H2,(H,14,15)
InChIKeyBJFPNQOOCVFZLV-UHFFFAOYSA-N
MW251.24 g/mol
LogP1.22
Rot. Bonds5

About 2-[2-(2-oxo-1,3-oxazolidin-3-yl)ethoxy]benzoic acid

2-[2-(2-oxo-1,3-oxazolidin-3-yl)ethoxy]benzoic acid (PubChem CID 43532506) has the molecular formula C12H13NO5 and a molecular weight of 251.24 g/mol. Its IUPAC name is 2-[2-(2-oxo-1,3-oxazolidin-3-yl)ethoxy]benzoic acid.

Molecular Properties

Compound Name2-[2-(2-oxo-1,3-oxazolidin-3-yl)ethoxy]benzoic acid
PubChem CID43532506
Molecular FormulaC12H13NO5
Molecular Weight251.24 g/mol
Exact Mass251.08
IUPAC Name2-[2-(2-oxo-1,3-oxazolidin-3-yl)ethoxy]benzoic acid
SMILESO=C(O)c1ccccc1OCCN1CCOC1=O
InChIInChI=1S/C12H13NO5/c14-11(15)9-3-1-2-4-10(9)17-7-5-13-6-8-18-12(13)16/h1-4H,5-8H2,(H,14,15)
InChIKeyBJFPNQOOCVFZLV-UHFFFAOYSA-N
XLogP1.22
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-methyl-2,3-dioxopiperazin-1-yl)ethoxy]benzoic acid
CID 62927721
2-(2-thiomorpholin-4-ylethoxy)benzoic acid
CID 43532595
2-[2-(8-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethoxy]benzoic acid
CID 136555535
2-[2-(1,4-oxazepan-4-yl)ethoxy]benzoic acid
CID 55134744
2-[2-(4-benzylpiperazin-1-yl)ethoxy]benzoic acid
CID 23009919
2-[2-(5-bromo-2-oxo-1-pyridinyl)ethoxy]benzoic acid
CID 43532494
2-[2-(2,2-dimethylmorpholin-4-yl)ethoxy]benzoic acid
CID 43592998
2-[2-[2-(2-carboxyphenoxy)ethoxy]ethoxy]benzoic acid
CID 2215647
3-[2-(4-aminophenoxy)ethyl]-1,3-oxazolidin-2-one
CID 43365795
2-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propoxy]benzoic acid
CID 63068279
2-[2-(2-methylpiperidin-1-yl)ethoxy]benzoic acid
CID 23009931
2-(2-oxo-1,3-oxazolidin-3-yl)ethyl prop-2-enoate
CID 22728782

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-oxo-1,3-oxazolidin-3-yl)ethoxy]benzoic acid?
The IUPAC name of 2-[2-(2-oxo-1,3-oxazolidin-3-yl)ethoxy]benzoic acid (CID 43532506) is 2-[2-(2-oxo-1,3-oxazolidin-3-yl)ethoxy]benzoic acid.
What is the SMILES notation for 2-[2-(2-oxo-1,3-oxazolidin-3-yl)ethoxy]benzoic acid?
The canonical SMILES for 2-[2-(2-oxo-1,3-oxazolidin-3-yl)ethoxy]benzoic acid is O=C(O)c1ccccc1OCCN1CCOC1=O.
What is the InChIKey of 2-[2-(2-oxo-1,3-oxazolidin-3-yl)ethoxy]benzoic acid?
The InChIKey is BJFPNQOOCVFZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO5/c14-11(15)9-3-1-2-4-10(9)17-7-5-13-6-8-18-12(13)16/h1-4H,5-8H2,(H,14,15).
What are the key properties of 2-[2-(2-oxo-1,3-oxazolidin-3-yl)ethoxy]benzoic acid?
2-[2-(2-oxo-1,3-oxazolidin-3-yl)ethoxy]benzoic acid has a molecular weight of 251.24 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-oxo-1,3-oxazolidin-3-yl)ethoxy]benzoic acid is sourced from PubChem (CID 43532506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).