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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Related Compounds

3-propan-2-yl-[1,2]oxazolo[4,5-b]pyridine
CID 58783653
3-tert-butyl-2-methylfuro[3,2-b]pyridine
CID 158992511
1-([1,2]oxazolo[4,5-b]pyridin-3-yl)cyclopropan-1-amine
CID 84766871
6-tert-butyl-[1,3,2]benzodioxaphosphepino[5,4-b]pyridine
CID 164836247
N-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine
CID 53375004
2-furo[3,2-b]pyridin-3-ylpropan-2-amine
CID 84767165
3-tert-butyl-2-(2,3,3-trimethylbutan-2-yl)pyridine
CID 122695001
2-(3-tert-butyl-2-pyridinyl)propan-2-ol
CID 166568505
8-tert-butyl-5-methyl-1,6-naphthyridine
CID 170078486
5,8-ditert-butylquinoline;ethane
CID 142102448
3-tert-butyl-2-methylpyridine;ethane
CID 90980079
CID 70350897
CID 70350897

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).