7-ethoxy-[1,3]oxazolo[4,5-b]pyridine-2-carboxylic acid

C9H8N2O4 — CID 84675802

IUPAC7-ethoxy-[1,3]oxazolo[4,5-b]pyridine-2-carboxylic acid
SMILESCCOc1ccnc2nc(C(=O)O)oc12
InChIInChI=1S/C9H8N2O4/c1-2-14-5-3-4-10-7-6(5)15-8(11-7)9(12)13/h3-4H,2H2,1H3,(H,12,13)
InChIKeyIBOLVFKNONWAFR-UHFFFAOYSA-N
MW208.17 g/mol
LogP1.32
Rot. Bonds3

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

7-ethoxy-[1,3]oxazolo[4,5-b]pyridine-2-carboxylic acid (PubChem CID 84675802) has the molecular formula C9H8N2O4 and a molecular weight of 208.17 g/mol. Its IUPAC name is 7-ethoxy-[1,3]oxazolo[4,5-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name7-ethoxy-[1,3]oxazolo[4,5-b]pyridine-2-carboxylic acid
PubChem CID84675802
Molecular FormulaC9H8N2O4
Molecular Weight208.17 g/mol
Exact Mass208.05
IUPAC Name7-ethoxy-[1,3]oxazolo[4,5-b]pyridine-2-carboxylic acid
SMILESCCOc1ccnc2nc(C(=O)O)oc12
InChIInChI=1S/C9H8N2O4/c1-2-14-5-3-4-10-7-6(5)15-8(11-7)9(12)13/h3-4H,2H2,1H3,(H,12,13)
InChIKeyIBOLVFKNONWAFR-UHFFFAOYSA-N
XLogP1.32
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.17
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-[1,3]oxazolo[4,5-b]pyridine-2-carboxylic acid?
The IUPAC name of 7-ethoxy-[1,3]oxazolo[4,5-b]pyridine-2-carboxylic acid (CID 84675802) is 7-ethoxy-[1,3]oxazolo[4,5-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 7-ethoxy-[1,3]oxazolo[4,5-b]pyridine-2-carboxylic acid?
The canonical SMILES for 7-ethoxy-[1,3]oxazolo[4,5-b]pyridine-2-carboxylic acid is CCOc1ccnc2nc(C(=O)O)oc12.
What is the InChIKey of 7-ethoxy-[1,3]oxazolo[4,5-b]pyridine-2-carboxylic acid?
The InChIKey is IBOLVFKNONWAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O4/c1-2-14-5-3-4-10-7-6(5)15-8(11-7)9(12)13/h3-4H,2H2,1H3,(H,12,13).
What are the key properties of 7-ethoxy-[1,3]oxazolo[4,5-b]pyridine-2-carboxylic acid?
7-ethoxy-[1,3]oxazolo[4,5-b]pyridine-2-carboxylic acid has a molecular weight of 208.17 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-[1,3]oxazolo[4,5-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 84675802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).