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

C16H16N2O — CID 117001008

IUPAC5-(4-tert-butylphenyl)-[1,3]oxazolo[4,5-b]pyridine
SMILESCC(C)(C)c1ccc(-c2ccc3ocnc3n2)cc1
InChIInChI=1S/C16H16N2O/c1-16(2,3)12-6-4-11(5-7-12)13-8-9-14-15(18-13)17-10-19-14/h4-10H,1-3H3
InChIKeyILWIBMQNZUAXEG-UHFFFAOYSA-N
MW252.32 g/mol
LogP4.19
Rot. Bonds1

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

5-(4-tert-butylphenyl)-[1,3]oxazolo[4,5-b]pyridine (PubChem CID 117001008) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 5-(4-tert-butylphenyl)-[1,3]oxazolo[4,5-b]pyridine.

Molecular Properties

Compound Name5-(4-tert-butylphenyl)-[1,3]oxazolo[4,5-b]pyridine
PubChem CID117001008
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name5-(4-tert-butylphenyl)-[1,3]oxazolo[4,5-b]pyridine
SMILESCC(C)(C)c1ccc(-c2ccc3ocnc3n2)cc1
InChIInChI=1S/C16H16N2O/c1-16(2,3)12-6-4-11(5-7-12)13-8-9-14-15(18-13)17-10-19-14/h4-10H,1-3H3
InChIKeyILWIBMQNZUAXEG-UHFFFAOYSA-N
XLogP4.19
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylphenyl)-[1,3]oxazolo[4,5-b]pyridine?
The IUPAC name of 5-(4-tert-butylphenyl)-[1,3]oxazolo[4,5-b]pyridine (CID 117001008) is 5-(4-tert-butylphenyl)-[1,3]oxazolo[4,5-b]pyridine.
What is the SMILES notation for 5-(4-tert-butylphenyl)-[1,3]oxazolo[4,5-b]pyridine?
The canonical SMILES for 5-(4-tert-butylphenyl)-[1,3]oxazolo[4,5-b]pyridine is CC(C)(C)c1ccc(-c2ccc3ocnc3n2)cc1.
What is the InChIKey of 5-(4-tert-butylphenyl)-[1,3]oxazolo[4,5-b]pyridine?
The InChIKey is ILWIBMQNZUAXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-16(2,3)12-6-4-11(5-7-12)13-8-9-14-15(18-13)17-10-19-14/h4-10H,1-3H3.
What are the key properties of 5-(4-tert-butylphenyl)-[1,3]oxazolo[4,5-b]pyridine?
5-(4-tert-butylphenyl)-[1,3]oxazolo[4,5-b]pyridine has a molecular weight of 252.32 g/mol, XLogP of 4.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylphenyl)-[1,3]oxazolo[4,5-b]pyridine is sourced from PubChem (CID 117001008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).