5-(4-methoxy-2,6-dimethylphenyl)-1,3-oxazole-2-carboxylic acid

C13H13NO4 — CID 82049390

IUPAC5-(4-methoxy-2,6-dimethylphenyl)-1,3-oxazole-2-carboxylic acid
SMILESCOc1cc(C)c(-c2cnc(C(=O)O)o2)c(C)c1
InChIInChI=1S/C13H13NO4/c1-7-4-9(17-3)5-8(2)11(7)10-6-14-12(18-10)13(15)16/h4-6H,1-3H3,(H,15,16)
InChIKeyXLYOIHCOTGDWBW-UHFFFAOYSA-N
MW247.25 g/mol
LogP2.67
Rot. Bonds3

About 5-(4-methoxy-2,6-dimethylphenyl)-1,3-oxazole-2-carboxylic acid

5-(4-methoxy-2,6-dimethylphenyl)-1,3-oxazole-2-carboxylic acid (PubChem CID 82049390) has the molecular formula C13H13NO4 and a molecular weight of 247.25 g/mol. Its IUPAC name is 5-(4-methoxy-2,6-dimethylphenyl)-1,3-oxazole-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-methoxy-2,6-dimethylphenyl)-1,3-oxazole-2-carboxylic acid
PubChem CID82049390
Molecular FormulaC13H13NO4
Molecular Weight247.25 g/mol
Exact Mass247.08
IUPAC Name5-(4-methoxy-2,6-dimethylphenyl)-1,3-oxazole-2-carboxylic acid
SMILESCOc1cc(C)c(-c2cnc(C(=O)O)o2)c(C)c1
InChIInChI=1S/C13H13NO4/c1-7-4-9(17-3)5-8(2)11(7)10-6-14-12(18-10)13(15)16/h4-6H,1-3H3,(H,15,16)
InChIKeyXLYOIHCOTGDWBW-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

5-(2,4-dimethoxyphenyl)-1,3-oxazole-2-carboxylic acid
CID 82049476
2-[5-(4-methoxy-2,6-dimethylphenyl)-1,3-oxazol-2-yl]ethanamine
CID 82049351
5-(2,4-dimethoxy-6-methylphenyl)-N-methyl-1,3-oxazol-2-amine
CID 116832415
5-(4-methoxy-3-propan-2-ylphenyl)-1,3-oxazole-2-carboxylic acid
CID 82049724
3-(4-methoxy-2,6-dimethylphenyl)-1,2-oxazole-5-carboxylic acid
CID 82371528
5-methoxy-3-methyl-2-sulfanylbenzoic acid
CID 91874590
2-(4-methoxy-2,6-dimethylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 82371047
5-(5-methyl-1H-indol-2-yl)-1,3-oxazole-2-carboxylic acid
CID 82387106
5-(4-propan-2-ylphenyl)-1,3-oxazole-2-carboxylic acid
CID 82049028
5-(4-fluorophenyl)-1,3-oxazole-2-carboxylic acid
CID 18695170
[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-pyrrolidin-1-ylmethanone
CID 16949896
5-(4-methoxy-2-methylphenyl)furan-2-carboxylic acid
CID 62502482

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxy-2,6-dimethylphenyl)-1,3-oxazole-2-carboxylic acid?
The IUPAC name of 5-(4-methoxy-2,6-dimethylphenyl)-1,3-oxazole-2-carboxylic acid (CID 82049390) is 5-(4-methoxy-2,6-dimethylphenyl)-1,3-oxazole-2-carboxylic acid.
What is the SMILES notation for 5-(4-methoxy-2,6-dimethylphenyl)-1,3-oxazole-2-carboxylic acid?
The canonical SMILES for 5-(4-methoxy-2,6-dimethylphenyl)-1,3-oxazole-2-carboxylic acid is COc1cc(C)c(-c2cnc(C(=O)O)o2)c(C)c1.
What is the InChIKey of 5-(4-methoxy-2,6-dimethylphenyl)-1,3-oxazole-2-carboxylic acid?
The InChIKey is XLYOIHCOTGDWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4/c1-7-4-9(17-3)5-8(2)11(7)10-6-14-12(18-10)13(15)16/h4-6H,1-3H3,(H,15,16).
What are the key properties of 5-(4-methoxy-2,6-dimethylphenyl)-1,3-oxazole-2-carboxylic acid?
5-(4-methoxy-2,6-dimethylphenyl)-1,3-oxazole-2-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 5-(4-methoxy-2,6-dimethylphenyl)-1,3-oxazole-2-carboxylic acid is sourced from PubChem (CID 82049390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).