3-(2-fluorophenoxy)carbonyl-1,2-oxazole-5-carboxylic acid

C11H6FNO5 — CID 117215037

IUPAC3-(2-fluorophenoxy)carbonyl-1,2-oxazole-5-carboxylic acid
SMILESO=C(Oc1ccccc1F)c1cc(C(=O)O)on1
InChIInChI=1S/C11H6FNO5/c12-6-3-1-2-4-8(6)17-11(16)7-5-9(10(14)15)18-13-7/h1-5H,(H,14,15)
InChIKeyQESDQEILZYPELF-UHFFFAOYSA-N
MW251.17 g/mol
LogP1.73
Rot. Bonds3

About 3-(2-fluorophenoxy)carbonyl-1,2-oxazole-5-carboxylic acid

3-(2-fluorophenoxy)carbonyl-1,2-oxazole-5-carboxylic acid (PubChem CID 117215037) has the molecular formula C11H6FNO5 and a molecular weight of 251.17 g/mol. Its IUPAC name is 3-(2-fluorophenoxy)carbonyl-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(2-fluorophenoxy)carbonyl-1,2-oxazole-5-carboxylic acid
PubChem CID117215037
Molecular FormulaC11H6FNO5
Molecular Weight251.17 g/mol
Exact Mass251.02
IUPAC Name3-(2-fluorophenoxy)carbonyl-1,2-oxazole-5-carboxylic acid
SMILESO=C(Oc1ccccc1F)c1cc(C(=O)O)on1
InChIInChI=1S/C11H6FNO5/c12-6-3-1-2-4-8(6)17-11(16)7-5-9(10(14)15)18-13-7/h1-5H,(H,14,15)
InChIKeyQESDQEILZYPELF-UHFFFAOYSA-N
XLogP1.73
TPSA89.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.17
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze 3-(2-fluorophenoxy)carbonyl-1,2-oxazole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2-methoxyphenoxy)carbonyl-1,2-oxazole-3-carboxylic acid
CID 117218096
6-(2-fluorophenoxy)carbonylpyridine-3-carboxylic acid
CID 174334037
3-pyridin-3-yloxycarbonyl-1,2-oxazole-5-carboxylic acid
CID 117215056
3-[2-(2-fluorophenyl)ethylcarbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369074
(2-fluorophenyl) 2-methoxybenzoate
CID 91714946
(2-fluorophenyl) 1-(2-fluorophenyl)pyrazole-3-carboxylate
CID 78868567
(2-bromophenyl) 5-amino-1,2-oxazole-3-carboxylate
CID 117215005
3-[(4-fluorophenyl)methyl]-1,2-oxazole-5-carboxylic acid
CID 96607582
3-[(3-fluoro-4-methoxyphenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369102
5-[1-(2-fluorophenoxy)ethyl]furan-2-carboxylic acid
CID 79018091
(2-fluorophenyl) 5-bromo-2-fluorobenzoate
CID 78777005
3-(4-fluoro-1H-indol-3-yl)-1,2-oxazole-5-carboxylic acid
CID 136986002

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenoxy)carbonyl-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(2-fluorophenoxy)carbonyl-1,2-oxazole-5-carboxylic acid (CID 117215037) is 3-(2-fluorophenoxy)carbonyl-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(2-fluorophenoxy)carbonyl-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(2-fluorophenoxy)carbonyl-1,2-oxazole-5-carboxylic acid is O=C(Oc1ccccc1F)c1cc(C(=O)O)on1.
What is the InChIKey of 3-(2-fluorophenoxy)carbonyl-1,2-oxazole-5-carboxylic acid?
The InChIKey is QESDQEILZYPELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6FNO5/c12-6-3-1-2-4-8(6)17-11(16)7-5-9(10(14)15)18-13-7/h1-5H,(H,14,15).
What are the key properties of 3-(2-fluorophenoxy)carbonyl-1,2-oxazole-5-carboxylic acid?
3-(2-fluorophenoxy)carbonyl-1,2-oxazole-5-carboxylic acid has a molecular weight of 251.17 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenoxy)carbonyl-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 117215037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).