5-methyl-4-oxo-[1,2]oxazolo[4,5-c]pyridine-7-carboxylic acid

C8H6N2O4 — CID 83878669

IUPAC5-methyl-4-oxo-[1,2]oxazolo[4,5-c]pyridine-7-carboxylic acid
SMILESCn1cc(C(=O)O)c2oncc2c1=O
InChIInChI=1S/C8H6N2O4/c1-10-3-5(8(12)13)6-4(7(10)11)2-9-14-6/h2-3H,1H3,(H,12,13)
InChIKeyUBDYZNHAPVFTAF-UHFFFAOYSA-N
MW194.15 g/mol
LogP0.22
Rot. Bonds1

About 5-methyl-4-oxo-[1,2]oxazolo[4,5-c]pyridine-7-carboxylic acid

5-methyl-4-oxo-[1,2]oxazolo[4,5-c]pyridine-7-carboxylic acid (PubChem CID 83878669) has the molecular formula C8H6N2O4 and a molecular weight of 194.15 g/mol. Its IUPAC name is 5-methyl-4-oxo-[1,2]oxazolo[4,5-c]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-oxo-[1,2]oxazolo[4,5-c]pyridine-7-carboxylic acid
PubChem CID83878669
Molecular FormulaC8H6N2O4
Molecular Weight194.15 g/mol
Exact Mass194.03
IUPAC Name5-methyl-4-oxo-[1,2]oxazolo[4,5-c]pyridine-7-carboxylic acid
SMILESCn1cc(C(=O)O)c2oncc2c1=O
InChIInChI=1S/C8H6N2O4/c1-10-3-5(8(12)13)6-4(7(10)11)2-9-14-6/h2-3H,1H3,(H,12,13)
InChIKeyUBDYZNHAPVFTAF-UHFFFAOYSA-N
XLogP0.22
TPSA85.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.15
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-oxo-[1,2]oxazolo[4,5-c]pyridine-7-carboxylic acid?
The IUPAC name of 5-methyl-4-oxo-[1,2]oxazolo[4,5-c]pyridine-7-carboxylic acid (CID 83878669) is 5-methyl-4-oxo-[1,2]oxazolo[4,5-c]pyridine-7-carboxylic acid.
What is the SMILES notation for 5-methyl-4-oxo-[1,2]oxazolo[4,5-c]pyridine-7-carboxylic acid?
The canonical SMILES for 5-methyl-4-oxo-[1,2]oxazolo[4,5-c]pyridine-7-carboxylic acid is Cn1cc(C(=O)O)c2oncc2c1=O.
What is the InChIKey of 5-methyl-4-oxo-[1,2]oxazolo[4,5-c]pyridine-7-carboxylic acid?
The InChIKey is UBDYZNHAPVFTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O4/c1-10-3-5(8(12)13)6-4(7(10)11)2-9-14-6/h2-3H,1H3,(H,12,13).
What are the key properties of 5-methyl-4-oxo-[1,2]oxazolo[4,5-c]pyridine-7-carboxylic acid?
5-methyl-4-oxo-[1,2]oxazolo[4,5-c]pyridine-7-carboxylic acid has a molecular weight of 194.15 g/mol, XLogP of 0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-oxo-[1,2]oxazolo[4,5-c]pyridine-7-carboxylic acid is sourced from PubChem (CID 83878669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).