6-tert-butyl-[1,2]oxazolo[4,5-c]pyridine

C10H12N2O — CID 155612987

IUPAC6-tert-butyl-[1,2]oxazolo[4,5-c]pyridine
SMILESCC(C)(C)c1cc2oncc2cn1
InChIInChI=1S/C10H12N2O/c1-10(2,3)9-4-8-7(5-11-9)6-12-13-8/h4-6H,1-3H3
InChIKeyQGZFHWCCLOQWNJ-UHFFFAOYSA-N
MW176.22 g/mol
LogP2.52
Rot. Bonds

About 6-tert-butyl-[1,2]oxazolo[4,5-c]pyridine

6-tert-butyl-[1,2]oxazolo[4,5-c]pyridine (PubChem CID 155612987) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 6-tert-butyl-[1,2]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Name6-tert-butyl-[1,2]oxazolo[4,5-c]pyridine
PubChem CID155612987
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name6-tert-butyl-[1,2]oxazolo[4,5-c]pyridine
SMILESCC(C)(C)c1cc2oncc2cn1
InChIInChI=1S/C10H12N2O/c1-10(2,3)9-4-8-7(5-11-9)6-12-13-8/h4-6H,1-3H3
InChIKeyQGZFHWCCLOQWNJ-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

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CID 59286667
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5,6-dimethyl-1,2-benzoxazole
CID 59539331
1-N-([1,2]oxazolo[4,5-c]pyridin-6-yl)propane-1,2-diamine
CID 83830113
6-tert-butyl-4H-[1,2]oxazolo[4,5-c]pyridin-4-ide;propane;tungsten(2+)
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1,2-benzoxazol-6-ol
CID 135599839
4-bromo-2-tert-butyl-5-methylpyridine
CID 162468681
6-tert-butyl-2,2-difluoro-[1,3]dioxolo[4,5-c]pyridine
CID 167053349
5-tert-butyl-7-iodo-1,2-benzoxazole
CID 13047566
3-tert-butylisoquinoline;2,2-dimethylpropane;ethane;pyridine
CID 159668510
N,6-ditert-butyl-4-methylpyridine-3-carboxamide
CID 121391265
2-tert-butyl-5-fluoropyridin-4-amine
CID 155709241

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-[1,2]oxazolo[4,5-c]pyridine?
The IUPAC name of 6-tert-butyl-[1,2]oxazolo[4,5-c]pyridine (CID 155612987) is 6-tert-butyl-[1,2]oxazolo[4,5-c]pyridine.
What is the SMILES notation for 6-tert-butyl-[1,2]oxazolo[4,5-c]pyridine?
The canonical SMILES for 6-tert-butyl-[1,2]oxazolo[4,5-c]pyridine is CC(C)(C)c1cc2oncc2cn1.
What is the InChIKey of 6-tert-butyl-[1,2]oxazolo[4,5-c]pyridine?
The InChIKey is QGZFHWCCLOQWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-10(2,3)9-4-8-7(5-11-9)6-12-13-8/h4-6H,1-3H3.
What are the key properties of 6-tert-butyl-[1,2]oxazolo[4,5-c]pyridine?
6-tert-butyl-[1,2]oxazolo[4,5-c]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 6-tert-butyl-[1,2]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 155612987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).