5-(4,5-dimethoxy-2-methylphenyl)-3-methyl-1,2-oxazole-4-carboxylic acid

C14H15NO5 — CID 98020637

IUPAC5-(4,5-dimethoxy-2-methylphenyl)-3-methyl-1,2-oxazole-4-carboxylic acid
SMILESCOc1cc(C)c(-c2onc(C)c2C(=O)O)cc1OC
InChIInChI=1S/C14H15NO5/c1-7-5-10(18-3)11(19-4)6-9(7)13-12(14(16)17)8(2)15-20-13/h5-6H,1-4H3,(H,16,17)
InChIKeyFFLZRYFVJGLLKC-UHFFFAOYSA-N
MW277.28 g/mol
LogP2.67
Rot. Bonds4

About 5-(4,5-dimethoxy-2-methylphenyl)-3-methyl-1,2-oxazole-4-carboxylic acid

5-(4,5-dimethoxy-2-methylphenyl)-3-methyl-1,2-oxazole-4-carboxylic acid (PubChem CID 98020637) has the molecular formula C14H15NO5 and a molecular weight of 277.28 g/mol. Its IUPAC name is 5-(4,5-dimethoxy-2-methylphenyl)-3-methyl-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(4,5-dimethoxy-2-methylphenyl)-3-methyl-1,2-oxazole-4-carboxylic acid
PubChem CID98020637
Molecular FormulaC14H15NO5
Molecular Weight277.28 g/mol
Exact Mass277.10
IUPAC Name5-(4,5-dimethoxy-2-methylphenyl)-3-methyl-1,2-oxazole-4-carboxylic acid
SMILESCOc1cc(C)c(-c2onc(C)c2C(=O)O)cc1OC
InChIInChI=1S/C14H15NO5/c1-7-5-10(18-3)11(19-4)6-9(7)13-12(14(16)17)8(2)15-20-13/h5-6H,1-4H3,(H,16,17)
InChIKeyFFLZRYFVJGLLKC-UHFFFAOYSA-N
XLogP2.67
TPSA81.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-methoxy-4,5-dimethylphenyl)-5-methyl-1,2-oxazole-4-carboxylic acid
CID 82371650
3-(2,5-dimethoxy-4-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117411973
[5-(4-methoxy-2,5-dimethylphenyl)-3-methyl-1,2-oxazol-4-yl]methanamine
CID 82479432
5-[2-(difluoromethoxy)phenyl]-3-methyl-1,2-oxazole-4-carboxylic acid
CID 175455308
3-(4,5-dimethoxy-2-methylphenyl)-5-oxo-1,2-dihydropyrazole-4-carboxylic acid
CID 98021533
3-(2,4,5-trimethoxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 43150115
2-amino-4-methoxy-6-methylbenzene-1,3-dicarboxylic acid
CID 151960724
5-(3,4-difluorophenyl)-3-methyl-1,2-oxazole-4-carboxylic acid
CID 82477044
5-(2-methoxyphenyl)-3-methyl-N-(1-phenylethyl)-1,2-oxazole-4-carboxamide
CID 46096857
2-[5-[5-(carboxymethoxy)-4-methoxy-2-methylphenyl]-2-methoxy-4-methylphenoxy]acetic acid
CID 101351133
4,6-dimethoxy-2-methylpyridine-3-carboxylic acid;hydrochloride
CID 139270209
5-(4-acetylphenyl)-3-methyl-1,2-oxazole-4-carboxylic acid
CID 175142552

Frequently Asked Questions

What is the IUPAC name of 5-(4,5-dimethoxy-2-methylphenyl)-3-methyl-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-(4,5-dimethoxy-2-methylphenyl)-3-methyl-1,2-oxazole-4-carboxylic acid (CID 98020637) is 5-(4,5-dimethoxy-2-methylphenyl)-3-methyl-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-(4,5-dimethoxy-2-methylphenyl)-3-methyl-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-(4,5-dimethoxy-2-methylphenyl)-3-methyl-1,2-oxazole-4-carboxylic acid is COc1cc(C)c(-c2onc(C)c2C(=O)O)cc1OC.
What is the InChIKey of 5-(4,5-dimethoxy-2-methylphenyl)-3-methyl-1,2-oxazole-4-carboxylic acid?
The InChIKey is FFLZRYFVJGLLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO5/c1-7-5-10(18-3)11(19-4)6-9(7)13-12(14(16)17)8(2)15-20-13/h5-6H,1-4H3,(H,16,17).
What are the key properties of 5-(4,5-dimethoxy-2-methylphenyl)-3-methyl-1,2-oxazole-4-carboxylic acid?
5-(4,5-dimethoxy-2-methylphenyl)-3-methyl-1,2-oxazole-4-carboxylic acid has a molecular weight of 277.28 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,5-dimethoxy-2-methylphenyl)-3-methyl-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 98020637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).