2-(3,5-ditert-butylphenyl)-[1,3]oxazolo[4,5-b]pyridine

C20H24N2O — CID 22754795

IUPAC2-(3,5-ditert-butylphenyl)-[1,3]oxazolo[4,5-b]pyridine
SMILESCC(C)(C)c1cc(-c2nc3ncccc3o2)cc(C(C)(C)C)c1
InChIInChI=1S/C20H24N2O/c1-19(2,3)14-10-13(11-15(12-14)20(4,5)6)18-22-17-16(23-18)8-7-9-21-17/h7-12H,1-6H3
InChIKeyUCCDZBDMCRACIY-UHFFFAOYSA-N
MW308.43 g/mol
LogP5.48
Rot. Bonds1

About 2-(3,5-ditert-butylphenyl)-[1,3]oxazolo[4,5-b]pyridine

2-(3,5-ditert-butylphenyl)-[1,3]oxazolo[4,5-b]pyridine (PubChem CID 22754795) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 2-(3,5-ditert-butylphenyl)-[1,3]oxazolo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(3,5-ditert-butylphenyl)-[1,3]oxazolo[4,5-b]pyridine
PubChem CID22754795
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name2-(3,5-ditert-butylphenyl)-[1,3]oxazolo[4,5-b]pyridine
SMILESCC(C)(C)c1cc(-c2nc3ncccc3o2)cc(C(C)(C)C)c1
InChIInChI=1S/C20H24N2O/c1-19(2,3)14-10-13(11-15(12-14)20(4,5)6)18-22-17-16(23-18)8-7-9-21-17/h7-12H,1-6H3
InChIKeyUCCDZBDMCRACIY-UHFFFAOYSA-N
XLogP5.48
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.43
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-ditert-butylphenyl)-[1,3]oxazolo[4,5-b]pyridine?
The IUPAC name of 2-(3,5-ditert-butylphenyl)-[1,3]oxazolo[4,5-b]pyridine (CID 22754795) is 2-(3,5-ditert-butylphenyl)-[1,3]oxazolo[4,5-b]pyridine.
What is the SMILES notation for 2-(3,5-ditert-butylphenyl)-[1,3]oxazolo[4,5-b]pyridine?
The canonical SMILES for 2-(3,5-ditert-butylphenyl)-[1,3]oxazolo[4,5-b]pyridine is CC(C)(C)c1cc(-c2nc3ncccc3o2)cc(C(C)(C)C)c1.
What is the InChIKey of 2-(3,5-ditert-butylphenyl)-[1,3]oxazolo[4,5-b]pyridine?
The InChIKey is UCCDZBDMCRACIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-19(2,3)14-10-13(11-15(12-14)20(4,5)6)18-22-17-16(23-18)8-7-9-21-17/h7-12H,1-6H3.
What are the key properties of 2-(3,5-ditert-butylphenyl)-[1,3]oxazolo[4,5-b]pyridine?
2-(3,5-ditert-butylphenyl)-[1,3]oxazolo[4,5-b]pyridine has a molecular weight of 308.43 g/mol, XLogP of 5.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-ditert-butylphenyl)-[1,3]oxazolo[4,5-b]pyridine is sourced from PubChem (CID 22754795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).