7-ethyl-3-methyl-4-oxo-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid

C10H10N2O4 — CID 14042837

IUPAC7-ethyl-3-methyl-4-oxo-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c2c(C)noc21
InChIInChI=1S/C10H10N2O4/c1-3-12-4-6(10(14)15)8(13)7-5(2)11-16-9(7)12/h4H,3H2,1-2H3,(H,14,15)
InChIKeyYAZIPCXHJSKVTE-UHFFFAOYSA-N
MW222.20 g/mol
LogP1.02
Rot. Bonds2

About 7-ethyl-3-methyl-4-oxo-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid

7-ethyl-3-methyl-4-oxo-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid (PubChem CID 14042837) has the molecular formula C10H10N2O4 and a molecular weight of 222.20 g/mol. Its IUPAC name is 7-ethyl-3-methyl-4-oxo-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name7-ethyl-3-methyl-4-oxo-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid
PubChem CID14042837
Molecular FormulaC10H10N2O4
Molecular Weight222.20 g/mol
Exact Mass222.06
IUPAC Name7-ethyl-3-methyl-4-oxo-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c2c(C)noc21
InChIInChI=1S/C10H10N2O4/c1-3-12-4-6(10(14)15)8(13)7-5(2)11-16-9(7)12/h4H,3H2,1-2H3,(H,14,15)
InChIKeyYAZIPCXHJSKVTE-UHFFFAOYSA-N
XLogP1.02
TPSA85.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-3-methyl-4-oxo-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid?
The IUPAC name of 7-ethyl-3-methyl-4-oxo-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid (CID 14042837) is 7-ethyl-3-methyl-4-oxo-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 7-ethyl-3-methyl-4-oxo-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid?
The canonical SMILES for 7-ethyl-3-methyl-4-oxo-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid is CCn1cc(C(=O)O)c(=O)c2c(C)noc21.
What is the InChIKey of 7-ethyl-3-methyl-4-oxo-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid?
The InChIKey is YAZIPCXHJSKVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O4/c1-3-12-4-6(10(14)15)8(13)7-5(2)11-16-9(7)12/h4H,3H2,1-2H3,(H,14,15).
What are the key properties of 7-ethyl-3-methyl-4-oxo-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid?
7-ethyl-3-methyl-4-oxo-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid has a molecular weight of 222.20 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-3-methyl-4-oxo-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 14042837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).