4,6-dimethyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxopyridine-3-carboxylic acid

C13H14N2O4 — CID 55126033

IUPAC4,6-dimethyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxopyridine-3-carboxylic acid
SMILESCc1cc(Cn2c(C)cc(C)c(C(=O)O)c2=O)no1
InChIInChI=1S/C13H14N2O4/c1-7-4-8(2)15(12(16)11(7)13(17)18)6-10-5-9(3)19-14-10/h4-5H,6H2,1-3H3,(H,17,18)
InChIKeyBFCCPMDVNWVRNS-UHFFFAOYSA-N
MW262.26 g/mol
LogP1.51
Rot. Bonds3

About 4,6-dimethyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxopyridine-3-carboxylic acid

4,6-dimethyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxopyridine-3-carboxylic acid (PubChem CID 55126033) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is 4,6-dimethyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name4,6-dimethyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxopyridine-3-carboxylic acid
PubChem CID55126033
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name4,6-dimethyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxopyridine-3-carboxylic acid
SMILESCc1cc(Cn2c(C)cc(C)c(C(=O)O)c2=O)no1
InChIInChI=1S/C13H14N2O4/c1-7-4-8(2)15(12(16)11(7)13(17)18)6-10-5-9(3)19-14-10/h4-5H,6H2,1-3H3,(H,17,18)
InChIKeyBFCCPMDVNWVRNS-UHFFFAOYSA-N
XLogP1.51
TPSA85.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 4,6-dimethyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxopyridine-3-carboxylic acid (CID 55126033) is 4,6-dimethyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 4,6-dimethyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 4,6-dimethyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxopyridine-3-carboxylic acid is Cc1cc(Cn2c(C)cc(C)c(C(=O)O)c2=O)no1.
What is the InChIKey of 4,6-dimethyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxopyridine-3-carboxylic acid?
The InChIKey is BFCCPMDVNWVRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-7-4-8(2)15(12(16)11(7)13(17)18)6-10-5-9(3)19-14-10/h4-5H,6H2,1-3H3,(H,17,18).
What are the key properties of 4,6-dimethyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxopyridine-3-carboxylic acid?
4,6-dimethyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxopyridine-3-carboxylic acid has a molecular weight of 262.26 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 55126033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).