6-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methoxy]pyridine-2-carboxylic acid

C12H12N2O4 — CID 79156655

IUPAC6-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methoxy]pyridine-2-carboxylic acid
SMILESCc1cc(COc2ccc(C)nc2C(=O)O)on1
InChIInChI=1S/C12H12N2O4/c1-7-3-4-10(11(13-7)12(15)16)17-6-9-5-8(2)14-18-9/h3-5H,6H2,1-2H3,(H,15,16)
InChIKeyLOCHWSBUEMBHJY-UHFFFAOYSA-N
MW248.24 g/mol
LogP1.96
Rot. Bonds4

About 6-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methoxy]pyridine-2-carboxylic acid

6-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methoxy]pyridine-2-carboxylic acid (PubChem CID 79156655) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is 6-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methoxy]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methoxy]pyridine-2-carboxylic acid
PubChem CID79156655
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC Name6-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methoxy]pyridine-2-carboxylic acid
SMILESCc1cc(COc2ccc(C)nc2C(=O)O)on1
InChIInChI=1S/C12H12N2O4/c1-7-3-4-10(11(13-7)12(15)16)17-6-9-5-8(2)14-18-9/h3-5H,6H2,1-2H3,(H,15,16)
InChIKeyLOCHWSBUEMBHJY-UHFFFAOYSA-N
XLogP1.96
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-5-[[2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenoxy]methyl]-1,2-oxazole
CID 2192631
3-[(5-chlorothiophen-2-yl)methoxy]-6-methylpyridine-2-carboxylic acid
CID 79156847
3-[(5-bromothiophen-2-yl)methoxy]-6-methylpyridine-2-carboxylic acid
CID 79158007
6-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyridine-2-carboxylic acid
CID 79158538
3-[(3-bromo-4-methoxyphenyl)methoxy]-6-methylpyridine-2-carboxylic acid
CID 79156646
N-[[6-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methoxy]-2-pyridinyl]methyl]propan-2-amine
CID 79150848
3-(3-methoxypropoxy)-6-methylpyridine-2-carboxylic acid
CID 79158863
3-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridine-2-carboxylic acid
CID 79157238
3-heptoxy-6-methylpyridine-2-carboxylic acid
CID 79156653
3-hexoxy-6-methylpyridine-2-carboxylic acid
CID 79156664
6-methyl-3-(phenylmethoxymethoxy)pyridine-2-carboxylic acid
CID 102939706
1-[(3-methyl-1,2-oxazol-5-yl)methoxy]naphthalene-2-carboxylic acid
CID 60682901

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methoxy]pyridine-2-carboxylic acid?
The IUPAC name of 6-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methoxy]pyridine-2-carboxylic acid (CID 79156655) is 6-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methoxy]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methoxy]pyridine-2-carboxylic acid?
The canonical SMILES for 6-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methoxy]pyridine-2-carboxylic acid is Cc1cc(COc2ccc(C)nc2C(=O)O)on1.
What is the InChIKey of 6-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methoxy]pyridine-2-carboxylic acid?
The InChIKey is LOCHWSBUEMBHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4/c1-7-3-4-10(11(13-7)12(15)16)17-6-9-5-8(2)14-18-9/h3-5H,6H2,1-2H3,(H,15,16).
What are the key properties of 6-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methoxy]pyridine-2-carboxylic acid?
6-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methoxy]pyridine-2-carboxylic acid has a molecular weight of 248.24 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methoxy]pyridine-2-carboxylic acid is sourced from PubChem (CID 79156655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).