4-hydroxy-1,3-oxazole-2-carboxylic acid

C4H3NO4 — CID 54552667

IUPAC4-hydroxy-1,3-oxazole-2-carboxylic acid
SMILESO=C(O)c1nc(O)co1
InChIInChI=1S/C4H3NO4/c6-2-1-9-3(5-2)4(7)8/h1,6H,(H,7,8)
InChIKeyZKZUAKRRMSBPLP-UHFFFAOYSA-N
MW129.07 g/mol
LogP0.08
Rot. Bonds1

About 4-hydroxy-1,3-oxazole-2-carboxylic acid

4-hydroxy-1,3-oxazole-2-carboxylic acid (PubChem CID 54552667) has the molecular formula C4H3NO4 and a molecular weight of 129.07 g/mol. Its IUPAC name is 4-hydroxy-1,3-oxazole-2-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1,3-oxazole-2-carboxylic acid
PubChem CID54552667
Molecular FormulaC4H3NO4
Molecular Weight129.07 g/mol
Exact Mass129.01
IUPAC Name4-hydroxy-1,3-oxazole-2-carboxylic acid
SMILESO=C(O)c1nc(O)co1
InChIInChI=1S/C4H3NO4/c6-2-1-9-3(5-2)4(7)8/h1,6H,(H,7,8)
InChIKeyZKZUAKRRMSBPLP-UHFFFAOYSA-N
XLogP0.08
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.07
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-hydroxy-1,3-oxazole-2-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

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1,3-oxazole-2-carboxylic acid?
The IUPAC name of 4-hydroxy-1,3-oxazole-2-carboxylic acid (CID 54552667) is 4-hydroxy-1,3-oxazole-2-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1,3-oxazole-2-carboxylic acid?
The canonical SMILES for 4-hydroxy-1,3-oxazole-2-carboxylic acid is O=C(O)c1nc(O)co1.
What is the InChIKey of 4-hydroxy-1,3-oxazole-2-carboxylic acid?
The InChIKey is ZKZUAKRRMSBPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3NO4/c6-2-1-9-3(5-2)4(7)8/h1,6H,(H,7,8).
What are the key properties of 4-hydroxy-1,3-oxazole-2-carboxylic acid?
4-hydroxy-1,3-oxazole-2-carboxylic acid has a molecular weight of 129.07 g/mol, XLogP of 0.08, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1,3-oxazole-2-carboxylic acid is sourced from PubChem (CID 54552667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).