3-tert-butyl-[1,2]oxazolo[4,5-b]pyridine

C10H12N2O — CID 59825811

IUPAC3-tert-butyl-[1,2]oxazolo[4,5-b]pyridine
SMILESCC(C)(C)c1noc2cccnc12
InChIInChI=1S/C10H12N2O/c1-10(2,3)9-8-7(13-12-9)5-4-6-11-8/h4-6H,1-3H3
InChIKeyKZTZQICNUSAIGG-UHFFFAOYSA-N
MW176.22 g/mol
LogP2.52
Rot. Bonds

About 3-tert-butyl-[1,2]oxazolo[4,5-b]pyridine

3-tert-butyl-[1,2]oxazolo[4,5-b]pyridine (PubChem CID 59825811) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 3-tert-butyl-[1,2]oxazolo[4,5-b]pyridine.

Molecular Properties

Compound Name3-tert-butyl-[1,2]oxazolo[4,5-b]pyridine
PubChem CID59825811
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name3-tert-butyl-[1,2]oxazolo[4,5-b]pyridine
SMILESCC(C)(C)c1noc2cccnc12
InChIInChI=1S/C10H12N2O/c1-10(2,3)9-8-7(13-12-9)5-4-6-11-8/h4-6H,1-3H3
InChIKeyKZTZQICNUSAIGG-UHFFFAOYSA-N
XLogP2.52
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-[1,2]oxazolo[4,5-b]pyridine?
The IUPAC name of 3-tert-butyl-[1,2]oxazolo[4,5-b]pyridine (CID 59825811) is 3-tert-butyl-[1,2]oxazolo[4,5-b]pyridine.
What is the SMILES notation for 3-tert-butyl-[1,2]oxazolo[4,5-b]pyridine?
The canonical SMILES for 3-tert-butyl-[1,2]oxazolo[4,5-b]pyridine is CC(C)(C)c1noc2cccnc12.
What is the InChIKey of 3-tert-butyl-[1,2]oxazolo[4,5-b]pyridine?
The InChIKey is KZTZQICNUSAIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-10(2,3)9-8-7(13-12-9)5-4-6-11-8/h4-6H,1-3H3.
What are the key properties of 3-tert-butyl-[1,2]oxazolo[4,5-b]pyridine?
3-tert-butyl-[1,2]oxazolo[4,5-b]pyridine has a molecular weight of 176.22 g/mol, XLogP of 2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-[1,2]oxazolo[4,5-b]pyridine is sourced from PubChem (CID 59825811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).