3-tert-butyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-b]pyridine

C10H16N2O — CID 146338912

IUPAC3-tert-butyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-b]pyridine
SMILESCC(C)(C)c1onc2c1NCCC2
InChIInChI=1S/C10H16N2O/c1-10(2,3)9-8-7(12-13-9)5-4-6-11-8/h11H,4-6H2,1-3H3
InChIKeyXZNYOBLXKQAUQH-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.33
Rot. Bonds

About 3-tert-butyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-b]pyridine

3-tert-butyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-b]pyridine (PubChem CID 146338912) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-tert-butyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-b]pyridine.

Molecular Properties

Compound Name3-tert-butyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-b]pyridine
PubChem CID146338912
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name3-tert-butyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-b]pyridine
SMILESCC(C)(C)c1onc2c1NCCC2
InChIInChI=1S/C10H16N2O/c1-10(2,3)9-8-7(12-13-9)5-4-6-11-8/h11H,4-6H2,1-3H3
InChIKeyXZNYOBLXKQAUQH-UHFFFAOYSA-N
XLogP2.33
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-b]pyridine?
The IUPAC name of 3-tert-butyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-b]pyridine (CID 146338912) is 3-tert-butyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-b]pyridine.
What is the SMILES notation for 3-tert-butyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-b]pyridine?
The canonical SMILES for 3-tert-butyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-b]pyridine is CC(C)(C)c1onc2c1NCCC2.
What is the InChIKey of 3-tert-butyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-b]pyridine?
The InChIKey is XZNYOBLXKQAUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-10(2,3)9-8-7(12-13-9)5-4-6-11-8/h11H,4-6H2,1-3H3.
What are the key properties of 3-tert-butyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-b]pyridine?
3-tert-butyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-b]pyridine has a molecular weight of 180.25 g/mol, XLogP of 2.33, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-b]pyridine is sourced from PubChem (CID 146338912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).