5-[(3-hydroxyphenoxy)methyl]-1,2-oxazole-3-carboxylic acid

C11H9NO5 — CID 117216896

IUPAC5-[(3-hydroxyphenoxy)methyl]-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(COc2cccc(O)c2)on1
InChIInChI=1S/C11H9NO5/c13-7-2-1-3-8(4-7)16-6-9-5-10(11(14)15)12-17-9/h1-5,13H,6H2,(H,14,15)
InChIKeyHOIKKQWKXGXUAV-UHFFFAOYSA-N
MW235.20 g/mol
LogP1.66
Rot. Bonds4

About 5-[(3-hydroxyphenoxy)methyl]-1,2-oxazole-3-carboxylic acid

5-[(3-hydroxyphenoxy)methyl]-1,2-oxazole-3-carboxylic acid (PubChem CID 117216896) has the molecular formula C11H9NO5 and a molecular weight of 235.20 g/mol. Its IUPAC name is 5-[(3-hydroxyphenoxy)methyl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[(3-hydroxyphenoxy)methyl]-1,2-oxazole-3-carboxylic acid
PubChem CID117216896
Molecular FormulaC11H9NO5
Molecular Weight235.20 g/mol
Exact Mass235.05
IUPAC Name5-[(3-hydroxyphenoxy)methyl]-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(COc2cccc(O)c2)on1
InChIInChI=1S/C11H9NO5/c13-7-2-1-3-8(4-7)16-6-9-5-10(11(14)15)12-17-9/h1-5,13H,6H2,(H,14,15)
InChIKeyHOIKKQWKXGXUAV-UHFFFAOYSA-N
XLogP1.66
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[(3-hydroxyphenoxy)methyl]-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

3-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenol
CID 43143519
5-(3-hydroxyphenoxy)carbonyl-1,2-oxazole-3-carboxylic acid
CID 117218109
5-[(3,5-dichlorophenoxy)methyl]-1,2-oxazole-3-carboxylic acid
CID 61397630
5-[(3-hydroxyphenyl)sulfanylmethyl]-1,2-oxazole-3-carboxylic acid
CID 104589939
5-[[4-(trifluoromethoxy)phenoxy]methyl]-1,2-oxazole-3-carboxylic acid
CID 90325843
5-[2-(3-chlorophenoxy)ethyl]-1,2-oxazole-3-carboxylic acid
CID 82092376
2-[(3-hydroxyphenoxy)methyl]-1,3-thiazole-4-carboxylic acid
CID 117187072
5-[(4-propylphenoxy)methyl]-1,2-oxazole-3-carboxylic acid
CID 62548376
5-[(3-bromophenoxy)methyl]-1,2-oxazole-3-carbohydrazide
CID 63576178
ethane;2-[(3-hydroxyphenoxy)methyl]benzoic acid
CID 91444077
5-[(3-methoxyphenyl)methyl]-1,2-oxazole-3-carboxylic acid;hydrochloride
CID 70512473
2-[(3-hydroxyphenoxy)methyl]-1,1-dioxo-1,3-thiazole-5-carboxylic acid
CID 117188113

Frequently Asked Questions

What is the IUPAC name of 5-[(3-hydroxyphenoxy)methyl]-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[(3-hydroxyphenoxy)methyl]-1,2-oxazole-3-carboxylic acid (CID 117216896) is 5-[(3-hydroxyphenoxy)methyl]-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[(3-hydroxyphenoxy)methyl]-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[(3-hydroxyphenoxy)methyl]-1,2-oxazole-3-carboxylic acid is O=C(O)c1cc(COc2cccc(O)c2)on1.
What is the InChIKey of 5-[(3-hydroxyphenoxy)methyl]-1,2-oxazole-3-carboxylic acid?
The InChIKey is HOIKKQWKXGXUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO5/c13-7-2-1-3-8(4-7)16-6-9-5-10(11(14)15)12-17-9/h1-5,13H,6H2,(H,14,15).
What are the key properties of 5-[(3-hydroxyphenoxy)methyl]-1,2-oxazole-3-carboxylic acid?
5-[(3-hydroxyphenoxy)methyl]-1,2-oxazole-3-carboxylic acid has a molecular weight of 235.20 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-hydroxyphenoxy)methyl]-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 117216896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).