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

C10H12N2O — CID 59344643

IUPAC7-tert-butyl-[1,2]oxazolo[4,5-b]pyridine
SMILESCC(C)(C)c1ccnc2cnoc12
InChIInChI=1S/C10H12N2O/c1-10(2,3)7-4-5-11-8-6-12-13-9(7)8/h4-6H,1-3H3
InChIKeyUYWDHHGFKNUQNG-UHFFFAOYSA-N
MW176.22 g/mol
LogP2.52
Rot. Bonds

About 7-tert-butyl-[1,2]oxazolo[4,5-b]pyridine

7-tert-butyl-[1,2]oxazolo[4,5-b]pyridine (PubChem CID 59344643) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 7-tert-butyl-[1,2]oxazolo[4,5-b]pyridine.

Molecular Properties

Compound Name7-tert-butyl-[1,2]oxazolo[4,5-b]pyridine
PubChem CID59344643
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name7-tert-butyl-[1,2]oxazolo[4,5-b]pyridine
SMILESCC(C)(C)c1ccnc2cnoc12
InChIInChI=1S/C10H12N2O/c1-10(2,3)7-4-5-11-8-6-12-13-9(7)8/h4-6H,1-3H3
InChIKeyUYWDHHGFKNUQNG-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 7-tert-butyl-[1,2]oxazolo[4,5-b]pyridine?
The IUPAC name of 7-tert-butyl-[1,2]oxazolo[4,5-b]pyridine (CID 59344643) is 7-tert-butyl-[1,2]oxazolo[4,5-b]pyridine.
What is the SMILES notation for 7-tert-butyl-[1,2]oxazolo[4,5-b]pyridine?
The canonical SMILES for 7-tert-butyl-[1,2]oxazolo[4,5-b]pyridine is CC(C)(C)c1ccnc2cnoc12.
What is the InChIKey of 7-tert-butyl-[1,2]oxazolo[4,5-b]pyridine?
The InChIKey is UYWDHHGFKNUQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-10(2,3)7-4-5-11-8-6-12-13-9(7)8/h4-6H,1-3H3.
What are the key properties of 7-tert-butyl-[1,2]oxazolo[4,5-b]pyridine?
7-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 7-tert-butyl-[1,2]oxazolo[4,5-b]pyridine is sourced from PubChem (CID 59344643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).