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

C11H7NO6 — CID 117218109

IUPAC5-(3-hydroxyphenoxy)carbonyl-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(C(=O)Oc2cccc(O)c2)on1
InChIInChI=1S/C11H7NO6/c13-6-2-1-3-7(4-6)17-11(16)9-5-8(10(14)15)12-18-9/h1-5,13H,(H,14,15)
InChIKeyVZGHEISZVUKLOI-UHFFFAOYSA-N
MW249.18 g/mol
LogP1.30
Rot. Bonds3

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

5-(3-hydroxyphenoxy)carbonyl-1,2-oxazole-3-carboxylic acid (PubChem CID 117218109) has the molecular formula C11H7NO6 and a molecular weight of 249.18 g/mol. Its IUPAC name is 5-(3-hydroxyphenoxy)carbonyl-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(3-hydroxyphenoxy)carbonyl-1,2-oxazole-3-carboxylic acid
PubChem CID117218109
Molecular FormulaC11H7NO6
Molecular Weight249.18 g/mol
Exact Mass249.03
IUPAC Name5-(3-hydroxyphenoxy)carbonyl-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(C(=O)Oc2cccc(O)c2)on1
InChIInChI=1S/C11H7NO6/c13-6-2-1-3-7(4-6)17-11(16)9-5-8(10(14)15)12-18-9/h1-5,13H,(H,14,15)
InChIKeyVZGHEISZVUKLOI-UHFFFAOYSA-N
XLogP1.30
TPSA109.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.18
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-(3-hydroxyphenoxy)carbonyl-1,2-oxazole-3-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-(3-hydroxyphenoxy)carbonylpyrazine-2-carboxylic acid
CID 117213155
5-[(3-hydroxyphenoxy)methyl]-1,2-oxazole-3-carboxylic acid
CID 117216896
(3-hydroxyphenyl) 4-amino-1,2-oxazole-5-carboxylate
CID 117218664
5-(2-methoxyphenoxy)carbonyl-1,2-oxazole-3-carboxylic acid
CID 117218096
5-(3-hydroxyphenoxy)carbonyl-1,1-dioxo-1,2-thiazole-3-carboxylic acid
CID 117218199
3-pyridin-3-yloxycarbonyl-1,2-oxazole-5-carboxylic acid
CID 117215056
4-(3-hydroxyphenoxy)carbonylthiadiazole-5-carboxylic acid
CID 117214946
(3-fluorophenyl) 3-hydroxybenzoate
CID 174105662
benzene-1,3-diol;diphenyl benzene-1,2-dicarboxylate
CID 174808310
(3-hydroxyphenyl) 2-oxoacetate
CID 174444543
(Z)-4-(3-hydroxyphenoxy)-4-oxobut-2-enoic acid
CID 150587214
(3-hydroxyphenyl) benzoate;phenyl 2-hydroxybenzoate
CID 66771976

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxyphenoxy)carbonyl-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(3-hydroxyphenoxy)carbonyl-1,2-oxazole-3-carboxylic acid (CID 117218109) is 5-(3-hydroxyphenoxy)carbonyl-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(3-hydroxyphenoxy)carbonyl-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(3-hydroxyphenoxy)carbonyl-1,2-oxazole-3-carboxylic acid is O=C(O)c1cc(C(=O)Oc2cccc(O)c2)on1.
What is the InChIKey of 5-(3-hydroxyphenoxy)carbonyl-1,2-oxazole-3-carboxylic acid?
The InChIKey is VZGHEISZVUKLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NO6/c13-6-2-1-3-7(4-6)17-11(16)9-5-8(10(14)15)12-18-9/h1-5,13H,(H,14,15).
What are the key properties of 5-(3-hydroxyphenoxy)carbonyl-1,2-oxazole-3-carboxylic acid?
5-(3-hydroxyphenoxy)carbonyl-1,2-oxazole-3-carboxylic acid has a molecular weight of 249.18 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxyphenoxy)carbonyl-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 117218109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).