1,2-oxazole-4,5-dicarboxylic acid

C5H3NO5 — CID 14787256

IUPAC1,2-oxazole-4,5-dicarboxylic acid
SMILESO=C(O)c1cnoc1C(=O)O
InChIInChI=1S/C5H3NO5/c7-4(8)2-1-6-11-3(2)5(9)10/h1H,(H,7,8)(H,9,10)
InChIKeyNISQNFHNEUAKBT-UHFFFAOYSA-N
MW157.08 g/mol
LogP0.07
Rot. Bonds2

About 1,2-oxazole-4,5-dicarboxylic acid

1,2-oxazole-4,5-dicarboxylic acid (PubChem CID 14787256) has the molecular formula C5H3NO5 and a molecular weight of 157.08 g/mol. Its IUPAC name is 1,2-oxazole-4,5-dicarboxylic acid.

Molecular Properties

Compound Name1,2-oxazole-4,5-dicarboxylic acid
PubChem CID14787256
Molecular FormulaC5H3NO5
Molecular Weight157.08 g/mol
Exact Mass157.00
IUPAC Name1,2-oxazole-4,5-dicarboxylic acid
SMILESO=C(O)c1cnoc1C(=O)O
InChIInChI=1S/C5H3NO5/c7-4(8)2-1-6-11-3(2)5(9)10/h1H,(H,7,8)(H,9,10)
InChIKeyNISQNFHNEUAKBT-UHFFFAOYSA-N
XLogP0.07
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.08
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1,2-oxazole-4,5-dicarboxylic 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 1,2-oxazole-4,5-dicarboxylic acid?
The IUPAC name of 1,2-oxazole-4,5-dicarboxylic acid (CID 14787256) is 1,2-oxazole-4,5-dicarboxylic acid.
What is the SMILES notation for 1,2-oxazole-4,5-dicarboxylic acid?
The canonical SMILES for 1,2-oxazole-4,5-dicarboxylic acid is O=C(O)c1cnoc1C(=O)O.
What is the InChIKey of 1,2-oxazole-4,5-dicarboxylic acid?
The InChIKey is NISQNFHNEUAKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3NO5/c7-4(8)2-1-6-11-3(2)5(9)10/h1H,(H,7,8)(H,9,10).
What are the key properties of 1,2-oxazole-4,5-dicarboxylic acid?
1,2-oxazole-4,5-dicarboxylic acid has a molecular weight of 157.08 g/mol, XLogP of 0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-oxazole-4,5-dicarboxylic acid is sourced from PubChem (CID 14787256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).