6-tert-butyl-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine

C10H16N2O — CID 89079762

IUPAC6-tert-butyl-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine
SMILESCC(C)(C)N1CCc2cnoc2C1
InChIInChI=1S/C10H16N2O/c1-10(2,3)12-5-4-8-6-11-13-9(8)7-12/h6H,4-5,7H2,1-3H3
InChIKeyWQKOZCDYRQTAGQ-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.83
Rot. Bonds

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

6-tert-butyl-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine (PubChem CID 89079762) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 6-tert-butyl-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine.

Molecular Properties

Compound Name6-tert-butyl-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine
PubChem CID89079762
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name6-tert-butyl-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine
SMILESCC(C)(C)N1CCc2cnoc2C1
InChIInChI=1S/C10H16N2O/c1-10(2,3)12-5-4-8-6-11-13-9(8)7-12/h6H,4-5,7H2,1-3H3
InChIKeyWQKOZCDYRQTAGQ-UHFFFAOYSA-N
XLogP1.83
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine?
The IUPAC name of 6-tert-butyl-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine (CID 89079762) is 6-tert-butyl-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine.
What is the SMILES notation for 6-tert-butyl-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine?
The canonical SMILES for 6-tert-butyl-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine is CC(C)(C)N1CCc2cnoc2C1.
What is the InChIKey of 6-tert-butyl-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine?
The InChIKey is WQKOZCDYRQTAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-10(2,3)12-5-4-8-6-11-13-9(8)7-12/h6H,4-5,7H2,1-3H3.
What are the key properties of 6-tert-butyl-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine?
6-tert-butyl-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine has a molecular weight of 180.25 g/mol, XLogP of 1.83, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine is sourced from PubChem (CID 89079762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).