3-(4-methoxy-3-methylphenyl)-1,2-oxazole-4-carboxylic acid

C12H11NO4 — CID 82390150

IUPAC3-(4-methoxy-3-methylphenyl)-1,2-oxazole-4-carboxylic acid
SMILESCOc1ccc(-c2nocc2C(=O)O)cc1C
InChIInChI=1S/C12H11NO4/c1-7-5-8(3-4-10(7)16-2)11-9(12(14)15)6-17-13-11/h3-6H,1-2H3,(H,14,15)
InChIKeyUZABCMCDIAJOFY-UHFFFAOYSA-N
MW233.22 g/mol
LogP2.36
Rot. Bonds3

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

3-(4-methoxy-3-methylphenyl)-1,2-oxazole-4-carboxylic acid (PubChem CID 82390150) has the molecular formula C12H11NO4 and a molecular weight of 233.22 g/mol. Its IUPAC name is 3-(4-methoxy-3-methylphenyl)-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(4-methoxy-3-methylphenyl)-1,2-oxazole-4-carboxylic acid
PubChem CID82390150
Molecular FormulaC12H11NO4
Molecular Weight233.22 g/mol
Exact Mass233.07
IUPAC Name3-(4-methoxy-3-methylphenyl)-1,2-oxazole-4-carboxylic acid
SMILESCOc1ccc(-c2nocc2C(=O)O)cc1C
InChIInChI=1S/C12H11NO4/c1-7-5-8(3-4-10(7)16-2)11-9(12(14)15)6-17-13-11/h3-6H,1-2H3,(H,14,15)
InChIKeyUZABCMCDIAJOFY-UHFFFAOYSA-N
XLogP2.36
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-ethoxy-3-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 100802087
3-(2,4-dimethoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 82296819
methyl 3-(4-hydroxy-3-methoxyphenyl)-1,2-oxazole-4-carboxylate
CID 870102
2-methoxy-3-(4-methoxy-3-methylphenyl)benzoic acid
CID 53226287
2-chloro-5-(4-methoxy-3-methylphenyl)pyridine-3-carboxylic acid
CID 53223255
3-(2,4,6-trimethylphenyl)-1,2-oxazole-4-carboxylic acid
CID 11535962
3-(2,6-dimethylphenyl)-1,2-oxazole-4-carboxylic acid
CID 71035349
2-amino-4-(4-methoxy-3-methylphenyl)-1,3-thiazole-5-carboxylic acid
CID 82133572
2-[4-(4-methoxy-3-methylphenyl)-2-methyl-1,3-oxazol-5-yl]acetic acid
CID 82132981
3-amino-2-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyridine-8-carboxylic acid
CID 82355906
methyl 5-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-2-methoxybenzoate
CID 58178223
3-hydroxy-4-(4-methoxy-3-methylphenyl)benzoic acid
CID 53226280

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-3-methylphenyl)-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 3-(4-methoxy-3-methylphenyl)-1,2-oxazole-4-carboxylic acid (CID 82390150) is 3-(4-methoxy-3-methylphenyl)-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 3-(4-methoxy-3-methylphenyl)-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 3-(4-methoxy-3-methylphenyl)-1,2-oxazole-4-carboxylic acid is COc1ccc(-c2nocc2C(=O)O)cc1C.
What is the InChIKey of 3-(4-methoxy-3-methylphenyl)-1,2-oxazole-4-carboxylic acid?
The InChIKey is UZABCMCDIAJOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4/c1-7-5-8(3-4-10(7)16-2)11-9(12(14)15)6-17-13-11/h3-6H,1-2H3,(H,14,15).
What are the key properties of 3-(4-methoxy-3-methylphenyl)-1,2-oxazole-4-carboxylic acid?
3-(4-methoxy-3-methylphenyl)-1,2-oxazole-4-carboxylic acid has a molecular weight of 233.22 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-3-methylphenyl)-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 82390150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).