3-(4,5-dimethyl-1,3-oxazol-2-yl)-6-methylpyridine-2-carboxylic acid

C12H12N2O3 — CID 59363682

IUPAC3-(4,5-dimethyl-1,3-oxazol-2-yl)-6-methylpyridine-2-carboxylic acid
SMILESCc1ccc(-c2nc(C)c(C)o2)c(C(=O)O)n1
InChIInChI=1S/C12H12N2O3/c1-6-4-5-9(10(13-6)12(15)16)11-14-7(2)8(3)17-11/h4-5H,1-3H3,(H,15,16)
InChIKeyORAZTURXBXUSPC-UHFFFAOYSA-N
MW232.24 g/mol
LogP2.36
Rot. Bonds2

About 3-(4,5-dimethyl-1,3-oxazol-2-yl)-6-methylpyridine-2-carboxylic acid

3-(4,5-dimethyl-1,3-oxazol-2-yl)-6-methylpyridine-2-carboxylic acid (PubChem CID 59363682) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 3-(4,5-dimethyl-1,3-oxazol-2-yl)-6-methylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(4,5-dimethyl-1,3-oxazol-2-yl)-6-methylpyridine-2-carboxylic acid
PubChem CID59363682
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name3-(4,5-dimethyl-1,3-oxazol-2-yl)-6-methylpyridine-2-carboxylic acid
SMILESCc1ccc(-c2nc(C)c(C)o2)c(C(=O)O)n1
InChIInChI=1S/C12H12N2O3/c1-6-4-5-9(10(13-6)12(15)16)11-14-7(2)8(3)17-11/h4-5H,1-3H3,(H,15,16)
InChIKeyORAZTURXBXUSPC-UHFFFAOYSA-N
XLogP2.36
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dimethyl-1,3-oxazol-2-yl)-6-methylpyridine-2-carboxylic acid?
The IUPAC name of 3-(4,5-dimethyl-1,3-oxazol-2-yl)-6-methylpyridine-2-carboxylic acid (CID 59363682) is 3-(4,5-dimethyl-1,3-oxazol-2-yl)-6-methylpyridine-2-carboxylic acid.
What is the SMILES notation for 3-(4,5-dimethyl-1,3-oxazol-2-yl)-6-methylpyridine-2-carboxylic acid?
The canonical SMILES for 3-(4,5-dimethyl-1,3-oxazol-2-yl)-6-methylpyridine-2-carboxylic acid is Cc1ccc(-c2nc(C)c(C)o2)c(C(=O)O)n1.
What is the InChIKey of 3-(4,5-dimethyl-1,3-oxazol-2-yl)-6-methylpyridine-2-carboxylic acid?
The InChIKey is ORAZTURXBXUSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-6-4-5-9(10(13-6)12(15)16)11-14-7(2)8(3)17-11/h4-5H,1-3H3,(H,15,16).
What are the key properties of 3-(4,5-dimethyl-1,3-oxazol-2-yl)-6-methylpyridine-2-carboxylic acid?
3-(4,5-dimethyl-1,3-oxazol-2-yl)-6-methylpyridine-2-carboxylic acid has a molecular weight of 232.24 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dimethyl-1,3-oxazol-2-yl)-6-methylpyridine-2-carboxylic acid is sourced from PubChem (CID 59363682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).