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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Related Compounds

3-(4-Fluorophenyl)-7-(4-methyl-3-pyridinyl)-[1,2]oxazolo[4,5-b]pyridine
CID 71544372
[1,2]Oxazolo[4,5-b]pyridin-3-amine
CID 13924711
7-(4-Methyl-3-pyridinyl)-3-phenyl-[1,2]oxazolo[4,5-b]pyridine
CID 89478975
N-(3,5-dimethyl-1,2-oxazol-4-yl)pyridine-4-carboxamide
CID 71935868
3-Methyl-7-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridine
CID 134808016
5-(4-Fluorophenyl)-3-methyl-7-(2-methyl-4-pyridinyl)-[1,2]oxazolo[4,5-b]pyridine
CID 134811282
3-Methyl-7-(2-methyl-4-pyridinyl)-5-pyridin-2-yl-[1,2]oxazolo[4,5-b]pyridine
CID 134806649
7-(2,4-Dimethylphenyl)-3-methyl-5-pyridin-3-yl-[1,2]oxazolo[4,5-b]pyridine
CID 134809054
3-Methylisoxazolo[4,5-b]pyridine
CID 564748
3-Methyl-5-pyridin-3-yl-[1,2]oxazolo[4,5-b]pyridine
CID 134811094
N,N,3-trimethyl-5-pyridin-3-yl-[1,2]oxazolo[4,5-b]pyridin-7-amine
CID 134811280
3-Methyl-2-oxido-[1,2]oxazolo[4,5-b]pyridin-2-ium
CID 14088956

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).