3-ethyl-6-methoxy-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid

C10H10N2O4 — CID 105478828

IUPAC3-ethyl-6-methoxy-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
SMILESCCc1noc2nc(OC)cc(C(=O)O)c12
InChIInChI=1S/C10H10N2O4/c1-3-6-8-5(10(13)14)4-7(15-2)11-9(8)16-12-6/h4H,3H2,1-2H3,(H,13,14)
InChIKeyKEFZMZLDXZCJBM-UHFFFAOYSA-N
MW222.20 g/mol
LogP1.49
Rot. Bonds3

About 3-ethyl-6-methoxy-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid

3-ethyl-6-methoxy-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid (PubChem CID 105478828) has the molecular formula C10H10N2O4 and a molecular weight of 222.20 g/mol. Its IUPAC name is 3-ethyl-6-methoxy-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-6-methoxy-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
PubChem CID105478828
Molecular FormulaC10H10N2O4
Molecular Weight222.20 g/mol
Exact Mass222.06
IUPAC Name3-ethyl-6-methoxy-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
SMILESCCc1noc2nc(OC)cc(C(=O)O)c12
InChIInChI=1S/C10H10N2O4/c1-3-6-8-5(10(13)14)4-7(15-2)11-9(8)16-12-6/h4H,3H2,1-2H3,(H,13,14)
InChIKeyKEFZMZLDXZCJBM-UHFFFAOYSA-N
XLogP1.49
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-methoxy-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 3-ethyl-6-methoxy-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid (CID 105478828) is 3-ethyl-6-methoxy-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-ethyl-6-methoxy-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 3-ethyl-6-methoxy-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid is CCc1noc2nc(OC)cc(C(=O)O)c12.
What is the InChIKey of 3-ethyl-6-methoxy-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid?
The InChIKey is KEFZMZLDXZCJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O4/c1-3-6-8-5(10(13)14)4-7(15-2)11-9(8)16-12-6/h4H,3H2,1-2H3,(H,13,14).
What are the key properties of 3-ethyl-6-methoxy-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid?
3-ethyl-6-methoxy-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid has a molecular weight of 222.20 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-methoxy-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 105478828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).