5-ethyl-1,2-oxazole-3-carboxylic acid

C6H7NO3 — CID 6483811

IUPAC5-ethyl-1,2-oxazole-3-carboxylic acid
SMILESCCc1cc(C(=O)O)no1
InChIInChI=1S/C6H7NO3/c1-2-4-3-5(6(8)9)7-10-4/h3H,2H2,1H3,(H,8,9)
InChIKeyTULZZUANLRGWPM-UHFFFAOYSA-N
MW141.13 g/mol
LogP0.94
Rot. Bonds2

About 5-ethyl-1,2-oxazole-3-carboxylic acid

5-ethyl-1,2-oxazole-3-carboxylic acid (PubChem CID 6483811) has the molecular formula C6H7NO3 and a molecular weight of 141.13 g/mol. Its IUPAC name is 5-ethyl-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-1,2-oxazole-3-carboxylic acid
PubChem CID6483811
Molecular FormulaC6H7NO3
Molecular Weight141.13 g/mol
Exact Mass141.04
IUPAC Name5-ethyl-1,2-oxazole-3-carboxylic acid
SMILESCCc1cc(C(=O)O)no1
InChIInChI=1S/C6H7NO3/c1-2-4-3-5(6(8)9)7-10-4/h3H,2H2,1H3,(H,8,9)
InChIKeyTULZZUANLRGWPM-UHFFFAOYSA-N
XLogP0.94
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-ethyl-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

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-ethyl-1,2-oxazole-3-carboxylic acid (CID 6483811) is 5-ethyl-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-ethyl-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-ethyl-1,2-oxazole-3-carboxylic acid is CCc1cc(C(=O)O)no1.
What is the InChIKey of 5-ethyl-1,2-oxazole-3-carboxylic acid?
The InChIKey is TULZZUANLRGWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO3/c1-2-4-3-5(6(8)9)7-10-4/h3H,2H2,1H3,(H,8,9).
What are the key properties of 5-ethyl-1,2-oxazole-3-carboxylic acid?
5-ethyl-1,2-oxazole-3-carboxylic acid has a molecular weight of 141.13 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 6483811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).