2,4-dimethyl-1-(1,2-oxazol-5-ylmethyl)-6-oxopyridine-3-carboxylic acid

C12H12N2O4 — CID 106420933

IUPAC2,4-dimethyl-1-(1,2-oxazol-5-ylmethyl)-6-oxopyridine-3-carboxylic acid
SMILESCc1cc(=O)n(Cc2ccno2)c(C)c1C(=O)O
InChIInChI=1S/C12H12N2O4/c1-7-5-10(15)14(6-9-3-4-13-18-9)8(2)11(7)12(16)17/h3-5H,6H2,1-2H3,(H,16,17)
InChIKeyAQCXGEGZWURERX-UHFFFAOYSA-N
MW248.24 g/mol
LogP1.20
Rot. Bonds3

About 2,4-dimethyl-1-(1,2-oxazol-5-ylmethyl)-6-oxopyridine-3-carboxylic acid

2,4-dimethyl-1-(1,2-oxazol-5-ylmethyl)-6-oxopyridine-3-carboxylic acid (PubChem CID 106420933) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is 2,4-dimethyl-1-(1,2-oxazol-5-ylmethyl)-6-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name2,4-dimethyl-1-(1,2-oxazol-5-ylmethyl)-6-oxopyridine-3-carboxylic acid
PubChem CID106420933
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC Name2,4-dimethyl-1-(1,2-oxazol-5-ylmethyl)-6-oxopyridine-3-carboxylic acid
SMILESCc1cc(=O)n(Cc2ccno2)c(C)c1C(=O)O
InChIInChI=1S/C12H12N2O4/c1-7-5-10(15)14(6-9-3-4-13-18-9)8(2)11(7)12(16)17/h3-5H,6H2,1-2H3,(H,16,17)
InChIKeyAQCXGEGZWURERX-UHFFFAOYSA-N
XLogP1.20
TPSA85.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-(1,2-oxazol-5-ylmethyl)-6-oxopyridine-3-carboxylic acid?
The IUPAC name of 2,4-dimethyl-1-(1,2-oxazol-5-ylmethyl)-6-oxopyridine-3-carboxylic acid (CID 106420933) is 2,4-dimethyl-1-(1,2-oxazol-5-ylmethyl)-6-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 2,4-dimethyl-1-(1,2-oxazol-5-ylmethyl)-6-oxopyridine-3-carboxylic acid?
The canonical SMILES for 2,4-dimethyl-1-(1,2-oxazol-5-ylmethyl)-6-oxopyridine-3-carboxylic acid is Cc1cc(=O)n(Cc2ccno2)c(C)c1C(=O)O.
What is the InChIKey of 2,4-dimethyl-1-(1,2-oxazol-5-ylmethyl)-6-oxopyridine-3-carboxylic acid?
The InChIKey is AQCXGEGZWURERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4/c1-7-5-10(15)14(6-9-3-4-13-18-9)8(2)11(7)12(16)17/h3-5H,6H2,1-2H3,(H,16,17).
What are the key properties of 2,4-dimethyl-1-(1,2-oxazol-5-ylmethyl)-6-oxopyridine-3-carboxylic acid?
2,4-dimethyl-1-(1,2-oxazol-5-ylmethyl)-6-oxopyridine-3-carboxylic acid has a molecular weight of 248.24 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-(1,2-oxazol-5-ylmethyl)-6-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 106420933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).