3,5-diethyl-1,2-oxazole-4-carboxylic acid

C8H11NO3 — CID 2758242

IUPAC3,5-diethyl-1,2-oxazole-4-carboxylic acid
SMILESCCc1noc(CC)c1C(=O)O
InChIInChI=1S/C8H11NO3/c1-3-5-7(8(10)11)6(4-2)12-9-5/h3-4H2,1-2H3,(H,10,11)
InChIKeyBLZLCWBWUXIGQV-UHFFFAOYSA-N
MW169.18 g/mol
LogP1.50
Rot. Bonds3

About 3,5-diethyl-1,2-oxazole-4-carboxylic acid

3,5-diethyl-1,2-oxazole-4-carboxylic acid (PubChem CID 2758242) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 3,5-diethyl-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name3,5-diethyl-1,2-oxazole-4-carboxylic acid
PubChem CID2758242
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name3,5-diethyl-1,2-oxazole-4-carboxylic acid
SMILESCCc1noc(CC)c1C(=O)O
InChIInChI=1S/C8H11NO3/c1-3-5-7(8(10)11)6(4-2)12-9-5/h3-4H2,1-2H3,(H,10,11)
InChIKeyBLZLCWBWUXIGQV-UHFFFAOYSA-N
XLogP1.50
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,5-diethyl-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 3,5-diethyl-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 3,5-diethyl-1,2-oxazole-4-carboxylic acid (CID 2758242) is 3,5-diethyl-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 3,5-diethyl-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 3,5-diethyl-1,2-oxazole-4-carboxylic acid is CCc1noc(CC)c1C(=O)O.
What is the InChIKey of 3,5-diethyl-1,2-oxazole-4-carboxylic acid?
The InChIKey is BLZLCWBWUXIGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-3-5-7(8(10)11)6(4-2)12-9-5/h3-4H2,1-2H3,(H,10,11).
What are the key properties of 3,5-diethyl-1,2-oxazole-4-carboxylic acid?
3,5-diethyl-1,2-oxazole-4-carboxylic acid has a molecular weight of 169.18 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 2758242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).