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

C10H16N2O — CID 83846506

IUPAC3-tert-butyl-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine
SMILESCC(C)(C)c1onc2c1CCNC2
InChIInChI=1S/C10H16N2O/c1-10(2,3)9-7-4-5-11-6-8(7)12-13-9/h11H,4-6H2,1-3H3
InChIKeyRUPYRKYWJLWPJZ-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.62
Rot. Bonds

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

3-tert-butyl-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine (PubChem CID 83846506) 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[3,4-c]pyridine.

Molecular Properties

Compound Name3-tert-butyl-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine
PubChem CID83846506
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name3-tert-butyl-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine
SMILESCC(C)(C)c1onc2c1CCNC2
InChIInChI=1S/C10H16N2O/c1-10(2,3)9-7-4-5-11-6-8(7)12-13-9/h11H,4-6H2,1-3H3
InChIKeyRUPYRKYWJLWPJZ-UHFFFAOYSA-N
XLogP1.62
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 ≤ 51.62
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[3,4-c]pyridine?
The IUPAC name of 3-tert-butyl-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine (CID 83846506) is 3-tert-butyl-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine.
What is the SMILES notation for 3-tert-butyl-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine?
The canonical SMILES for 3-tert-butyl-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine is CC(C)(C)c1onc2c1CCNC2.
What is the InChIKey of 3-tert-butyl-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine?
The InChIKey is RUPYRKYWJLWPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-10(2,3)9-7-4-5-11-6-8(7)12-13-9/h11H,4-6H2,1-3H3.
What are the key properties of 3-tert-butyl-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine?
3-tert-butyl-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine has a molecular weight of 180.25 g/mol, XLogP of 1.62, 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[3,4-c]pyridine is sourced from PubChem (CID 83846506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).