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

C6H6ClNO3 — CID 84655400

IUPAC4-chloro-3-ethyl-1,2-oxazole-5-carboxylic acid
SMILESCCc1noc(C(=O)O)c1Cl
InChIInChI=1S/C6H6ClNO3/c1-2-3-4(7)5(6(9)10)11-8-3/h2H2,1H3,(H,9,10)
InChIKeyCAIABEUZJFSOQV-UHFFFAOYSA-N
MW175.57 g/mol
LogP1.59
Rot. Bonds2

About 4-chloro-3-ethyl-1,2-oxazole-5-carboxylic acid

4-chloro-3-ethyl-1,2-oxazole-5-carboxylic acid (PubChem CID 84655400) has the molecular formula C6H6ClNO3 and a molecular weight of 175.57 g/mol. Its IUPAC name is 4-chloro-3-ethyl-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name4-chloro-3-ethyl-1,2-oxazole-5-carboxylic acid
PubChem CID84655400
Molecular FormulaC6H6ClNO3
Molecular Weight175.57 g/mol
Exact Mass175.00
IUPAC Name4-chloro-3-ethyl-1,2-oxazole-5-carboxylic acid
SMILESCCc1noc(C(=O)O)c1Cl
InChIInChI=1S/C6H6ClNO3/c1-2-3-4(7)5(6(9)10)11-8-3/h2H2,1H3,(H,9,10)
InChIKeyCAIABEUZJFSOQV-UHFFFAOYSA-N
XLogP1.59
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.57
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-chloro-3-ethyl-1,2-oxazole-5-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-chloro-3-ethyl-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 4-chloro-3-ethyl-1,2-oxazole-5-carboxylic acid (CID 84655400) is 4-chloro-3-ethyl-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 4-chloro-3-ethyl-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 4-chloro-3-ethyl-1,2-oxazole-5-carboxylic acid is CCc1noc(C(=O)O)c1Cl.
What is the InChIKey of 4-chloro-3-ethyl-1,2-oxazole-5-carboxylic acid?
The InChIKey is CAIABEUZJFSOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClNO3/c1-2-3-4(7)5(6(9)10)11-8-3/h2H2,1H3,(H,9,10).
What are the key properties of 4-chloro-3-ethyl-1,2-oxazole-5-carboxylic acid?
4-chloro-3-ethyl-1,2-oxazole-5-carboxylic acid has a molecular weight of 175.57 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-ethyl-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 84655400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).