5-methoxy-1,2-oxazole-4-carboxylic acid

C5H5NO4 — CID 25418693

IUPAC5-methoxy-1,2-oxazole-4-carboxylic acid
SMILESCOc1oncc1C(=O)O
InChIInChI=1S/C5H5NO4/c1-9-5-3(4(7)8)2-6-10-5/h2H,1H3,(H,7,8)
InChIKeyOAYYFPLKGYOFKA-UHFFFAOYSA-N
MW143.10 g/mol
LogP0.38
Rot. Bonds2

About 5-methoxy-1,2-oxazole-4-carboxylic acid

5-methoxy-1,2-oxazole-4-carboxylic acid (PubChem CID 25418693) has the molecular formula C5H5NO4 and a molecular weight of 143.10 g/mol. Its IUPAC name is 5-methoxy-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-methoxy-1,2-oxazole-4-carboxylic acid
PubChem CID25418693
Molecular FormulaC5H5NO4
Molecular Weight143.10 g/mol
Exact Mass143.02
IUPAC Name5-methoxy-1,2-oxazole-4-carboxylic acid
SMILESCOc1oncc1C(=O)O
InChIInChI=1S/C5H5NO4/c1-9-5-3(4(7)8)2-6-10-5/h2H,1H3,(H,7,8)
InChIKeyOAYYFPLKGYOFKA-UHFFFAOYSA-N
XLogP0.38
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.10
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-methoxy-1,2-oxazole-4-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 5-methoxy-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-methoxy-1,2-oxazole-4-carboxylic acid (CID 25418693) is 5-methoxy-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-methoxy-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-methoxy-1,2-oxazole-4-carboxylic acid is COc1oncc1C(=O)O.
What is the InChIKey of 5-methoxy-1,2-oxazole-4-carboxylic acid?
The InChIKey is OAYYFPLKGYOFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO4/c1-9-5-3(4(7)8)2-6-10-5/h2H,1H3,(H,7,8).
What are the key properties of 5-methoxy-1,2-oxazole-4-carboxylic acid?
5-methoxy-1,2-oxazole-4-carboxylic acid has a molecular weight of 143.10 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 25418693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).