2-(4-tert-butylphenyl)-6-fluoro-[1,3]oxazolo[5,4-b]pyridine

C16H15FN2O — CID 82337620

IUPAC2-(4-tert-butylphenyl)-6-fluoro-[1,3]oxazolo[5,4-b]pyridine
SMILESCC(C)(C)c1ccc(-c2nc3cc(F)cnc3o2)cc1
InChIInChI=1S/C16H15FN2O/c1-16(2,3)11-6-4-10(5-7-11)14-19-13-8-12(17)9-18-15(13)20-14/h4-9H,1-3H3
InChIKeyPVUZBOXPPLCIGV-UHFFFAOYSA-N
MW270.31 g/mol
LogP4.33
Rot. Bonds1

About 2-(4-tert-butylphenyl)-6-fluoro-[1,3]oxazolo[5,4-b]pyridine

2-(4-tert-butylphenyl)-6-fluoro-[1,3]oxazolo[5,4-b]pyridine (PubChem CID 82337620) has the molecular formula C16H15FN2O and a molecular weight of 270.31 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-6-fluoro-[1,3]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-6-fluoro-[1,3]oxazolo[5,4-b]pyridine
PubChem CID82337620
Molecular FormulaC16H15FN2O
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC Name2-(4-tert-butylphenyl)-6-fluoro-[1,3]oxazolo[5,4-b]pyridine
SMILESCC(C)(C)c1ccc(-c2nc3cc(F)cnc3o2)cc1
InChIInChI=1S/C16H15FN2O/c1-16(2,3)11-6-4-10(5-7-11)14-19-13-8-12(17)9-18-15(13)20-14/h4-9H,1-3H3
InChIKeyPVUZBOXPPLCIGV-UHFFFAOYSA-N
XLogP4.33
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-6-fluoro-[1,3]oxazolo[5,4-b]pyridine?
The IUPAC name of 2-(4-tert-butylphenyl)-6-fluoro-[1,3]oxazolo[5,4-b]pyridine (CID 82337620) is 2-(4-tert-butylphenyl)-6-fluoro-[1,3]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 2-(4-tert-butylphenyl)-6-fluoro-[1,3]oxazolo[5,4-b]pyridine?
The canonical SMILES for 2-(4-tert-butylphenyl)-6-fluoro-[1,3]oxazolo[5,4-b]pyridine is CC(C)(C)c1ccc(-c2nc3cc(F)cnc3o2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-6-fluoro-[1,3]oxazolo[5,4-b]pyridine?
The InChIKey is PVUZBOXPPLCIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O/c1-16(2,3)11-6-4-10(5-7-11)14-19-13-8-12(17)9-18-15(13)20-14/h4-9H,1-3H3.
What are the key properties of 2-(4-tert-butylphenyl)-6-fluoro-[1,3]oxazolo[5,4-b]pyridine?
2-(4-tert-butylphenyl)-6-fluoro-[1,3]oxazolo[5,4-b]pyridine has a molecular weight of 270.31 g/mol, XLogP of 4.33, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-6-fluoro-[1,3]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 82337620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).