3,4-ditert-butyl-6,7-dihydro-5H-[1,2]oxazolo[4,5-b]pyridine

C14H24N2O — CID 59483833

IUPAC3,4-ditert-butyl-6,7-dihydro-5H-[1,2]oxazolo[4,5-b]pyridine
SMILESCC(C)(C)c1noc2c1N(C(C)(C)C)CCC2
InChIInChI=1S/C14H24N2O/c1-13(2,3)12-11-10(17-15-12)8-7-9-16(11)14(4,5)6/h7-9H2,1-6H3
InChIKeyNGEGDIOLNLYTRG-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.52
Rot. Bonds

About 3,4-ditert-butyl-6,7-dihydro-5H-[1,2]oxazolo[4,5-b]pyridine

3,4-ditert-butyl-6,7-dihydro-5H-[1,2]oxazolo[4,5-b]pyridine (PubChem CID 59483833) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 3,4-ditert-butyl-6,7-dihydro-5H-[1,2]oxazolo[4,5-b]pyridine.

Molecular Properties

Compound Name3,4-ditert-butyl-6,7-dihydro-5H-[1,2]oxazolo[4,5-b]pyridine
PubChem CID59483833
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name3,4-ditert-butyl-6,7-dihydro-5H-[1,2]oxazolo[4,5-b]pyridine
SMILESCC(C)(C)c1noc2c1N(C(C)(C)C)CCC2
InChIInChI=1S/C14H24N2O/c1-13(2,3)12-11-10(17-15-12)8-7-9-16(11)14(4,5)6/h7-9H2,1-6H3
InChIKeyNGEGDIOLNLYTRG-UHFFFAOYSA-N
XLogP3.52
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-ditert-butyl-6,7-dihydro-5H-[1,2]oxazolo[4,5-b]pyridine?
The IUPAC name of 3,4-ditert-butyl-6,7-dihydro-5H-[1,2]oxazolo[4,5-b]pyridine (CID 59483833) is 3,4-ditert-butyl-6,7-dihydro-5H-[1,2]oxazolo[4,5-b]pyridine.
What is the SMILES notation for 3,4-ditert-butyl-6,7-dihydro-5H-[1,2]oxazolo[4,5-b]pyridine?
The canonical SMILES for 3,4-ditert-butyl-6,7-dihydro-5H-[1,2]oxazolo[4,5-b]pyridine is CC(C)(C)c1noc2c1N(C(C)(C)C)CCC2.
What is the InChIKey of 3,4-ditert-butyl-6,7-dihydro-5H-[1,2]oxazolo[4,5-b]pyridine?
The InChIKey is NGEGDIOLNLYTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-13(2,3)12-11-10(17-15-12)8-7-9-16(11)14(4,5)6/h7-9H2,1-6H3.
What are the key properties of 3,4-ditert-butyl-6,7-dihydro-5H-[1,2]oxazolo[4,5-b]pyridine?
3,4-ditert-butyl-6,7-dihydro-5H-[1,2]oxazolo[4,5-b]pyridine has a molecular weight of 236.36 g/mol, XLogP of 3.52, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-ditert-butyl-6,7-dihydro-5H-[1,2]oxazolo[4,5-b]pyridine is sourced from PubChem (CID 59483833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).