6-(3-methoxy-1,2-oxazol-5-yl)-2-methylpyridine-3-carboxylic acid

C11H10N2O4 — CID 96597337

IUPAC6-(3-methoxy-1,2-oxazol-5-yl)-2-methylpyridine-3-carboxylic acid
SMILESCOc1cc(-c2ccc(C(=O)O)c(C)n2)on1
InChIInChI=1S/C11H10N2O4/c1-6-7(11(14)15)3-4-8(12-6)9-5-10(16-2)13-17-9/h3-5H,1-2H3,(H,14,15)
InChIKeyFMXQJZSYJSQZOU-UHFFFAOYSA-N
MW234.21 g/mol
LogP1.75
Rot. Bonds3

About 6-(3-methoxy-1,2-oxazol-5-yl)-2-methylpyridine-3-carboxylic acid

6-(3-methoxy-1,2-oxazol-5-yl)-2-methylpyridine-3-carboxylic acid (PubChem CID 96597337) has the molecular formula C11H10N2O4 and a molecular weight of 234.21 g/mol. Its IUPAC name is 6-(3-methoxy-1,2-oxazol-5-yl)-2-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(3-methoxy-1,2-oxazol-5-yl)-2-methylpyridine-3-carboxylic acid
PubChem CID96597337
Molecular FormulaC11H10N2O4
Molecular Weight234.21 g/mol
Exact Mass234.06
IUPAC Name6-(3-methoxy-1,2-oxazol-5-yl)-2-methylpyridine-3-carboxylic acid
SMILESCOc1cc(-c2ccc(C(=O)O)c(C)n2)on1
InChIInChI=1S/C11H10N2O4/c1-6-7(11(14)15)3-4-8(12-6)9-5-10(16-2)13-17-9/h3-5H,1-2H3,(H,14,15)
InChIKeyFMXQJZSYJSQZOU-UHFFFAOYSA-N
XLogP1.75
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylpyridine-3-carboxylic acid
CID 112561983
2-methyl-6-(2-methylphenyl)pyridine-3-carboxylic acid
CID 112561990
6-(3,4-difluorophenyl)-2-methylpyridine-3-carboxylic acid
CID 69038091
4-methoxy-3-methyl-1,2-benzoxazole-5-carboxylic acid
CID 117110028
6-acetyloxy-2-methylpyridine-3-carboxylic acid
CID 154351291
6-(3-bromophenyl)-2-methylpyridine-3-carboxylic acid
CID 7131628
6-(2,4-difluorophenyl)-2-methylpyridine-3-carboxylic acid
CID 69042733
5-methoxycarbonyl-2,6-dimethylpyridine-3-carboxylic acid
CID 68669960
2-amino-2-(3-methoxy-1,2-oxazol-5-yl)acetic acid
CID 14238404
6-(2-bromophenyl)-2-methylpyridine-3-carboxylic acid
CID 112562051
3-ethyl-6-methoxy-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
CID 105478828
(3-methoxy-1,2-oxazol-5-yl) hydrogen carbonate
CID 66616886

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxy-1,2-oxazol-5-yl)-2-methylpyridine-3-carboxylic acid?
The IUPAC name of 6-(3-methoxy-1,2-oxazol-5-yl)-2-methylpyridine-3-carboxylic acid (CID 96597337) is 6-(3-methoxy-1,2-oxazol-5-yl)-2-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-(3-methoxy-1,2-oxazol-5-yl)-2-methylpyridine-3-carboxylic acid?
The canonical SMILES for 6-(3-methoxy-1,2-oxazol-5-yl)-2-methylpyridine-3-carboxylic acid is COc1cc(-c2ccc(C(=O)O)c(C)n2)on1.
What is the InChIKey of 6-(3-methoxy-1,2-oxazol-5-yl)-2-methylpyridine-3-carboxylic acid?
The InChIKey is FMXQJZSYJSQZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4/c1-6-7(11(14)15)3-4-8(12-6)9-5-10(16-2)13-17-9/h3-5H,1-2H3,(H,14,15).
What are the key properties of 6-(3-methoxy-1,2-oxazol-5-yl)-2-methylpyridine-3-carboxylic acid?
6-(3-methoxy-1,2-oxazol-5-yl)-2-methylpyridine-3-carboxylic acid has a molecular weight of 234.21 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxy-1,2-oxazol-5-yl)-2-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 96597337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).