3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2,5-dimethylphenyl)propanoic acid

C16H19NO3 — CID 82140292

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2,5-dimethylphenyl)propanoic acid
SMILESCc1ccc(C)c(C(Cc2c(C)noc2C)C(=O)O)c1
InChIInChI=1S/C16H19NO3/c1-9-5-6-10(2)13(7-9)15(16(18)19)8-14-11(3)17-20-12(14)4/h5-7,15H,8H2,1-4H3,(H,18,19)
InChIKeyFLGVLPQGFCHZEQ-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.32
Rot. Bonds4

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2,5-dimethylphenyl)propanoic acid

3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2,5-dimethylphenyl)propanoic acid (PubChem CID 82140292) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2,5-dimethylphenyl)propanoic acid.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2,5-dimethylphenyl)propanoic acid
PubChem CID82140292
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2,5-dimethylphenyl)propanoic acid
SMILESCc1ccc(C)c(C(Cc2c(C)noc2C)C(=O)O)c1
InChIInChI=1S/C16H19NO3/c1-9-5-6-10(2)13(7-9)15(16(18)19)8-14-11(3)17-20-12(14)4/h5-7,15H,8H2,1-4H3,(H,18,19)
InChIKeyFLGVLPQGFCHZEQ-UHFFFAOYSA-N
XLogP3.32
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2,5-dimethylphenyl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,5-dimethylphenyl)-3-phenylpropanoic acid
CID 82139245
2-(2,5-dimethylphenyl)-3-thiophen-2-ylpropanoic acid
CID 83951542
3-(4-chlorophenyl)-2-(2,5-dimethylphenyl)propanoic acid
CID 82139348
(2R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoic acid
CID 92845870
2-(2,5-dimethylphenyl)-3-(2-fluorophenyl)propanoic acid
CID 82139843
2-(2,5-dimethylphenyl)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid
CID 83953444
2-(2,5-dimethylphenyl)-3-(3-propan-2-yloxyphenyl)propanoic acid
CID 83952174
2-(2,5-dimethylphenyl)-3-(2-hydroxy-3-methoxyphenyl)propanoic acid
CID 83954964
2-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(2,4-dimethylphenyl)methyl]acetamide
CID 154880534
2-(2,5-dimethylphenyl)-3-(3-ethoxy-4-hydroxyphenyl)propanoic acid
CID 83954162
3-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,4-dimethylanilino]propanoic acid
CID 82319513
3-(2,4-diethoxyphenyl)-2-(2,5-dimethylphenyl)propanoic acid
CID 83952976

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2,5-dimethylphenyl)propanoic acid?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2,5-dimethylphenyl)propanoic acid (CID 82140292) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2,5-dimethylphenyl)propanoic acid.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2,5-dimethylphenyl)propanoic acid?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2,5-dimethylphenyl)propanoic acid is Cc1ccc(C)c(C(Cc2c(C)noc2C)C(=O)O)c1.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2,5-dimethylphenyl)propanoic acid?
The InChIKey is FLGVLPQGFCHZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-9-5-6-10(2)13(7-9)15(16(18)19)8-14-11(3)17-20-12(14)4/h5-7,15H,8H2,1-4H3,(H,18,19).
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2,5-dimethylphenyl)propanoic acid?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2,5-dimethylphenyl)propanoic acid has a molecular weight of 273.33 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2,5-dimethylphenyl)propanoic acid is sourced from PubChem (CID 82140292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).