5-(2,6-dimethoxy-3-methylphenyl)-1,2-oxazole-3-carboxylic acid

C13H13NO5 — CID 117411985

IUPAC5-(2,6-dimethoxy-3-methylphenyl)-1,2-oxazole-3-carboxylic acid
SMILESCOc1ccc(C)c(OC)c1-c1cc(C(=O)O)no1
InChIInChI=1S/C13H13NO5/c1-7-4-5-9(17-2)11(12(7)18-3)10-6-8(13(15)16)14-19-10/h4-6H,1-3H3,(H,15,16)
InChIKeyUXPWTLHFOPPAQQ-UHFFFAOYSA-N
MW263.25 g/mol
LogP2.37
Rot. Bonds4

About 5-(2,6-dimethoxy-3-methylphenyl)-1,2-oxazole-3-carboxylic acid

5-(2,6-dimethoxy-3-methylphenyl)-1,2-oxazole-3-carboxylic acid (PubChem CID 117411985) has the molecular formula C13H13NO5 and a molecular weight of 263.25 g/mol. Its IUPAC name is 5-(2,6-dimethoxy-3-methylphenyl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(2,6-dimethoxy-3-methylphenyl)-1,2-oxazole-3-carboxylic acid
PubChem CID117411985
Molecular FormulaC13H13NO5
Molecular Weight263.25 g/mol
Exact Mass263.08
IUPAC Name5-(2,6-dimethoxy-3-methylphenyl)-1,2-oxazole-3-carboxylic acid
SMILESCOc1ccc(C)c(OC)c1-c1cc(C(=O)O)no1
InChIInChI=1S/C13H13NO5/c1-7-4-5-9(17-2)11(12(7)18-3)10-6-8(13(15)16)14-19-10/h4-6H,1-3H3,(H,15,16)
InChIKeyUXPWTLHFOPPAQQ-UHFFFAOYSA-N
XLogP2.37
TPSA81.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(6-chloro-2,3-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117455882
5-(3-fluoro-6-methoxy-2-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117380434
5-(5-methoxy-1H-indol-4-yl)-1,2-oxazole-3-carboxylic acid
CID 117398764
5-(2-chloro-3-methoxy-4-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117422565
5-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-1,2-oxazole-3-carboxylic acid
CID 117435468
5-(2-ethoxy-6-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117411996
5-(5-methoxy-1,3-benzodioxol-4-yl)-1,2-oxazole-3-carboxylic acid
CID 117411816
5-(5-methoxy-1,3-dihydro-2-benzofuran-4-yl)-1,2-oxazole-3-carboxylic acid
CID 117406628
5-[2-fluoro-6-methoxy-3-(methoxymethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117451194
3-(2,6-dimethoxy-3-methylphenyl)-1,2-oxazol-5-amine
CID 117340342
5-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)-1,2-oxazole-3-carboxylic acid
CID 115111205
5-(2,6-difluoro-3-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117350000

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethoxy-3-methylphenyl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(2,6-dimethoxy-3-methylphenyl)-1,2-oxazole-3-carboxylic acid (CID 117411985) is 5-(2,6-dimethoxy-3-methylphenyl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(2,6-dimethoxy-3-methylphenyl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(2,6-dimethoxy-3-methylphenyl)-1,2-oxazole-3-carboxylic acid is COc1ccc(C)c(OC)c1-c1cc(C(=O)O)no1.
What is the InChIKey of 5-(2,6-dimethoxy-3-methylphenyl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is UXPWTLHFOPPAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO5/c1-7-4-5-9(17-2)11(12(7)18-3)10-6-8(13(15)16)14-19-10/h4-6H,1-3H3,(H,15,16).
What are the key properties of 5-(2,6-dimethoxy-3-methylphenyl)-1,2-oxazole-3-carboxylic acid?
5-(2,6-dimethoxy-3-methylphenyl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 263.25 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethoxy-3-methylphenyl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 117411985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).