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

C14H16N2O4 — CID 106389677

IUPAC2,4-dimethyl-1-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-oxopyridine-3-carboxylic acid
SMILESCc1cnc(C(C)n2c(C)c(C(=O)O)c(C)cc2=O)o1
InChIInChI=1S/C14H16N2O4/c1-7-5-11(17)16(9(3)12(7)14(18)19)10(4)13-15-6-8(2)20-13/h5-6,10H,1-4H3,(H,18,19)
InChIKeyPEEFBLQYRBBPFC-UHFFFAOYSA-N
MW276.29 g/mol
LogP2.07
Rot. Bonds3

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

2,4-dimethyl-1-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-oxopyridine-3-carboxylic acid (PubChem CID 106389677) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 2,4-dimethyl-1-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name2,4-dimethyl-1-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-oxopyridine-3-carboxylic acid
PubChem CID106389677
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name2,4-dimethyl-1-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-oxopyridine-3-carboxylic acid
SMILESCc1cnc(C(C)n2c(C)c(C(=O)O)c(C)cc2=O)o1
InChIInChI=1S/C14H16N2O4/c1-7-5-11(17)16(9(3)12(7)14(18)19)10(4)13-15-6-8(2)20-13/h5-6,10H,1-4H3,(H,18,19)
InChIKeyPEEFBLQYRBBPFC-UHFFFAOYSA-N
XLogP2.07
TPSA85.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.07
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-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-oxopyridine-3-carboxylic acid?
The IUPAC name of 2,4-dimethyl-1-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-oxopyridine-3-carboxylic acid (CID 106389677) is 2,4-dimethyl-1-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 2,4-dimethyl-1-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-oxopyridine-3-carboxylic acid?
The canonical SMILES for 2,4-dimethyl-1-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-oxopyridine-3-carboxylic acid is Cc1cnc(C(C)n2c(C)c(C(=O)O)c(C)cc2=O)o1.
What is the InChIKey of 2,4-dimethyl-1-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-oxopyridine-3-carboxylic acid?
The InChIKey is PEEFBLQYRBBPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-7-5-11(17)16(9(3)12(7)14(18)19)10(4)13-15-6-8(2)20-13/h5-6,10H,1-4H3,(H,18,19).
What are the key properties of 2,4-dimethyl-1-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-oxopyridine-3-carboxylic acid?
2,4-dimethyl-1-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-oxopyridine-3-carboxylic acid has a molecular weight of 276.29 g/mol, XLogP of 2.07, 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-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 106389677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).