2-(2-methoxy-4,6-dimethylphenyl)-1,3-oxazole-4-carboxylic acid

C13H13NO4 — CID 82479713

IUPAC2-(2-methoxy-4,6-dimethylphenyl)-1,3-oxazole-4-carboxylic acid
SMILESCOc1cc(C)cc(C)c1-c1nc(C(=O)O)co1
InChIInChI=1S/C13H13NO4/c1-7-4-8(2)11(10(5-7)17-3)12-14-9(6-18-12)13(15)16/h4-6H,1-3H3,(H,15,16)
InChIKeyYRKRYYSCROSERJ-UHFFFAOYSA-N
MW247.25 g/mol
LogP2.67
Rot. Bonds3

About 2-(2-methoxy-4,6-dimethylphenyl)-1,3-oxazole-4-carboxylic acid

2-(2-methoxy-4,6-dimethylphenyl)-1,3-oxazole-4-carboxylic acid (PubChem CID 82479713) has the molecular formula C13H13NO4 and a molecular weight of 247.25 g/mol. Its IUPAC name is 2-(2-methoxy-4,6-dimethylphenyl)-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-methoxy-4,6-dimethylphenyl)-1,3-oxazole-4-carboxylic acid
PubChem CID82479713
Molecular FormulaC13H13NO4
Molecular Weight247.25 g/mol
Exact Mass247.08
IUPAC Name2-(2-methoxy-4,6-dimethylphenyl)-1,3-oxazole-4-carboxylic acid
SMILESCOc1cc(C)cc(C)c1-c1nc(C(=O)O)co1
InChIInChI=1S/C13H13NO4/c1-7-4-8(2)11(10(5-7)17-3)12-14-9(6-18-12)13(15)16/h4-6H,1-3H3,(H,15,16)
InChIKeyYRKRYYSCROSERJ-UHFFFAOYSA-N
XLogP2.67
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3,5,6-tetramethylphenyl)-1,3-oxazole-4-carboxylic acid
CID 82478867
2-(2,4,5-trimethoxyphenyl)-1,3-oxazole-4-carboxylic acid
CID 62234680
2-(4-methoxy-2,3-dimethylphenyl)-1,3-oxazole-4-carboxylic acid
CID 82479704
3-(2-methoxy-4,6-dimethylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117369814
2-(4-bromo-2-methoxyphenyl)-1,3-oxazole-4-carboxylic acid
CID 115370044
2-(5-fluoro-2-methylphenyl)-1,3-oxazole-4-carboxylic acid
CID 63048806
4-fluoro-2-(2-methoxy-4,6-dimethylphenyl)benzoic acid
CID 106681044
2-fluoro-5-(2-methoxy-4,6-dimethylphenyl)benzoic acid
CID 106681041
2-[2-(2,4,6-trimethylphenyl)-1,3-oxazol-4-yl]acetic acid
CID 82478865
2-amino-5-(2-methoxy-4,6-dimethylphenyl)thiophene-3-carboxylic acid
CID 98020900
5-(2-methoxy-4,6-dimethylphenyl)-1H-imidazole-2-carboxylic acid
CID 116878539
5-(2-methoxy-4,6-dimethylphenyl)-4-methylthiophene-2-carboxylic acid
CID 106681054

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4,6-dimethylphenyl)-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-(2-methoxy-4,6-dimethylphenyl)-1,3-oxazole-4-carboxylic acid (CID 82479713) is 2-(2-methoxy-4,6-dimethylphenyl)-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-(2-methoxy-4,6-dimethylphenyl)-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-(2-methoxy-4,6-dimethylphenyl)-1,3-oxazole-4-carboxylic acid is COc1cc(C)cc(C)c1-c1nc(C(=O)O)co1.
What is the InChIKey of 2-(2-methoxy-4,6-dimethylphenyl)-1,3-oxazole-4-carboxylic acid?
The InChIKey is YRKRYYSCROSERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4/c1-7-4-8(2)11(10(5-7)17-3)12-14-9(6-18-12)13(15)16/h4-6H,1-3H3,(H,15,16).
What are the key properties of 2-(2-methoxy-4,6-dimethylphenyl)-1,3-oxazole-4-carboxylic acid?
2-(2-methoxy-4,6-dimethylphenyl)-1,3-oxazole-4-carboxylic acid has a molecular weight of 247.25 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4,6-dimethylphenyl)-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 82479713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).