5-methyl-3-(2,4,6-trimethylphenyl)-4H-1,2-oxazole-5-carboxylic acid

C14H17NO3 — CID 102725073

IUPAC5-methyl-3-(2,4,6-trimethylphenyl)-4H-1,2-oxazole-5-carboxylic acid
SMILESCc1cc(C)c(C2=NOC(C)(C(=O)O)C2)c(C)c1
InChIInChI=1S/C14H17NO3/c1-8-5-9(2)12(10(3)6-8)11-7-14(4,13(16)17)18-15-11/h5-6H,7H2,1-4H3,(H,16,17)
InChIKeyWHZQHWAJKQLPTE-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.58
Rot. Bonds2

About 5-methyl-3-(2,4,6-trimethylphenyl)-4H-1,2-oxazole-5-carboxylic acid

5-methyl-3-(2,4,6-trimethylphenyl)-4H-1,2-oxazole-5-carboxylic acid (PubChem CID 102725073) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 5-methyl-3-(2,4,6-trimethylphenyl)-4H-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name5-methyl-3-(2,4,6-trimethylphenyl)-4H-1,2-oxazole-5-carboxylic acid
PubChem CID102725073
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name5-methyl-3-(2,4,6-trimethylphenyl)-4H-1,2-oxazole-5-carboxylic acid
SMILESCc1cc(C)c(C2=NOC(C)(C(=O)O)C2)c(C)c1
InChIInChI=1S/C14H17NO3/c1-8-5-9(2)12(10(3)6-8)11-7-14(4,13(16)17)18-15-11/h5-6H,7H2,1-4H3,(H,16,17)
InChIKeyWHZQHWAJKQLPTE-UHFFFAOYSA-N
XLogP2.58
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-methyl-3-(2,4,6-trimethylphenyl)-4H-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 5-methyl-3-(2,4,6-trimethylphenyl)-4H-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 5-methyl-3-(2,4,6-trimethylphenyl)-4H-1,2-oxazole-5-carboxylic acid (CID 102725073) is 5-methyl-3-(2,4,6-trimethylphenyl)-4H-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 5-methyl-3-(2,4,6-trimethylphenyl)-4H-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 5-methyl-3-(2,4,6-trimethylphenyl)-4H-1,2-oxazole-5-carboxylic acid is Cc1cc(C)c(C2=NOC(C)(C(=O)O)C2)c(C)c1.
What is the InChIKey of 5-methyl-3-(2,4,6-trimethylphenyl)-4H-1,2-oxazole-5-carboxylic acid?
The InChIKey is WHZQHWAJKQLPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-8-5-9(2)12(10(3)6-8)11-7-14(4,13(16)17)18-15-11/h5-6H,7H2,1-4H3,(H,16,17).
What are the key properties of 5-methyl-3-(2,4,6-trimethylphenyl)-4H-1,2-oxazole-5-carboxylic acid?
5-methyl-3-(2,4,6-trimethylphenyl)-4H-1,2-oxazole-5-carboxylic acid has a molecular weight of 247.29 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(2,4,6-trimethylphenyl)-4H-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 102725073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).