3-(2,4-dimethoxyphenyl)-1,2-oxazole-4-carboxylic acid

C12H11NO5 — CID 82296819

IUPAC3-(2,4-dimethoxyphenyl)-1,2-oxazole-4-carboxylic acid
SMILESCOc1ccc(-c2nocc2C(=O)O)c(OC)c1
InChIInChI=1S/C12H11NO5/c1-16-7-3-4-8(10(5-7)17-2)11-9(12(14)15)6-18-13-11/h3-6H,1-2H3,(H,14,15)
InChIKeyQOHVTIOOHSEQFO-UHFFFAOYSA-N
MW249.22 g/mol
LogP2.06
Rot. Bonds4

About 3-(2,4-dimethoxyphenyl)-1,2-oxazole-4-carboxylic acid

3-(2,4-dimethoxyphenyl)-1,2-oxazole-4-carboxylic acid (PubChem CID 82296819) has the molecular formula C12H11NO5 and a molecular weight of 249.22 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)-1,2-oxazole-4-carboxylic acid
PubChem CID82296819
Molecular FormulaC12H11NO5
Molecular Weight249.22 g/mol
Exact Mass249.06
IUPAC Name3-(2,4-dimethoxyphenyl)-1,2-oxazole-4-carboxylic acid
SMILESCOc1ccc(-c2nocc2C(=O)O)c(OC)c1
InChIInChI=1S/C12H11NO5/c1-16-7-3-4-8(10(5-7)17-2)11-9(12(14)15)6-18-13-11/h3-6H,1-2H3,(H,14,15)
InChIKeyQOHVTIOOHSEQFO-UHFFFAOYSA-N
XLogP2.06
TPSA81.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.22
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(2,5-dimethoxyphenyl)-1,2-oxazole-4-carboxylate
CID 870182
2-(2,4-dimethoxyphenyl)pyridine-3-carboxylic acid
CID 53223736
3-(4-methoxy-3-methylphenyl)-1,2-oxazole-4-carboxylic acid
CID 82390150
3-(2,4-dimethoxyphenyl)-1-propan-2-ylpyrazole-4-carboxylic acid
CID 61264514
2,4-dimethoxybenzoic acid
CID 7052
2,4-dimethoxybenzoic acid
CID 67450326
5-(2,4-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 16792916
2-chloro-4-(2,4-dimethoxyphenyl)benzoic acid
CID 53227218
3-(2,4-dimethoxyphenyl)-1-propylpyrazole-4-carboxylic acid
CID 61266679
2-(2,4-dimethoxyphenyl)-4-methylpyridine-3-carboxylic acid
CID 102275828
2-chloro-5-(2,4-dimethoxyphenyl)pyridine-4-carboxylic acid
CID 53223746
5-(2,4-dimethoxyphenyl)-1-methylpyrazole-4-carboxylic acid
CID 82302598

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 3-(2,4-dimethoxyphenyl)-1,2-oxazole-4-carboxylic acid (CID 82296819) is 3-(2,4-dimethoxyphenyl)-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)-1,2-oxazole-4-carboxylic acid is COc1ccc(-c2nocc2C(=O)O)c(OC)c1.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)-1,2-oxazole-4-carboxylic acid?
The InChIKey is QOHVTIOOHSEQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO5/c1-16-7-3-4-8(10(5-7)17-2)11-9(12(14)15)6-18-13-11/h3-6H,1-2H3,(H,14,15).
What are the key properties of 3-(2,4-dimethoxyphenyl)-1,2-oxazole-4-carboxylic acid?
3-(2,4-dimethoxyphenyl)-1,2-oxazole-4-carboxylic acid has a molecular weight of 249.22 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyphenyl)-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 82296819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).