1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-oxopyridine-4-carboxylic acid

C12H12N2O4 — CID 82903890

IUPAC1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-oxopyridine-4-carboxylic acid
SMILESCc1nc(Cn2ccc(C(=O)O)cc2=O)oc1C
InChIInChI=1S/C12H12N2O4/c1-7-8(2)18-10(13-7)6-14-4-3-9(12(16)17)5-11(14)15/h3-5H,6H2,1-2H3,(H,16,17)
InChIKeyTYZWKYSONFRSCW-UHFFFAOYSA-N
MW248.24 g/mol
LogP1.20
Rot. Bonds3

About 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-oxopyridine-4-carboxylic acid

1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-oxopyridine-4-carboxylic acid (PubChem CID 82903890) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-oxopyridine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-oxopyridine-4-carboxylic acid
PubChem CID82903890
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC Name1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-oxopyridine-4-carboxylic acid
SMILESCc1nc(Cn2ccc(C(=O)O)cc2=O)oc1C
InChIInChI=1S/C12H12N2O4/c1-7-8(2)18-10(13-7)6-14-4-3-9(12(16)17)5-11(14)15/h3-5H,6H2,1-2H3,(H,16,17)
InChIKeyTYZWKYSONFRSCW-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 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-oxopyridine-4-carboxylic acid?
The IUPAC name of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-oxopyridine-4-carboxylic acid (CID 82903890) is 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-oxopyridine-4-carboxylic acid.
What is the SMILES notation for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-oxopyridine-4-carboxylic acid?
The canonical SMILES for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-oxopyridine-4-carboxylic acid is Cc1nc(Cn2ccc(C(=O)O)cc2=O)oc1C.
What is the InChIKey of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-oxopyridine-4-carboxylic acid?
The InChIKey is TYZWKYSONFRSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4/c1-7-8(2)18-10(13-7)6-14-4-3-9(12(16)17)5-11(14)15/h3-5H,6H2,1-2H3,(H,16,17).
What are the key properties of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-oxopyridine-4-carboxylic acid?
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-oxopyridine-4-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 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-oxopyridine-4-carboxylic acid is sourced from PubChem (CID 82903890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).