4,7-ditert-butyl-[1,3]oxazolo[4,5-c]pyridine

C14H20N2O — CID 67678705

IUPAC4,7-ditert-butyl-[1,3]oxazolo[4,5-c]pyridine
SMILESCC(C)(C)c1ncc(C(C)(C)C)c2ocnc12
InChIInChI=1S/C14H20N2O/c1-13(2,3)9-7-15-12(14(4,5)6)10-11(9)17-8-16-10/h7-8H,1-6H3
InChIKeyRFSBRWNBBDUVJC-UHFFFAOYSA-N
MW232.33 g/mol
LogP3.82
Rot. Bonds

About 4,7-ditert-butyl-[1,3]oxazolo[4,5-c]pyridine

4,7-ditert-butyl-[1,3]oxazolo[4,5-c]pyridine (PubChem CID 67678705) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 4,7-ditert-butyl-[1,3]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Name4,7-ditert-butyl-[1,3]oxazolo[4,5-c]pyridine
PubChem CID67678705
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name4,7-ditert-butyl-[1,3]oxazolo[4,5-c]pyridine
SMILESCC(C)(C)c1ncc(C(C)(C)C)c2ocnc12
InChIInChI=1S/C14H20N2O/c1-13(2,3)9-7-15-12(14(4,5)6)10-11(9)17-8-16-10/h7-8H,1-6H3
InChIKeyRFSBRWNBBDUVJC-UHFFFAOYSA-N
XLogP3.82
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,7-ditert-butyl-[1,3]oxazolo[4,5-c]pyridine?
The IUPAC name of 4,7-ditert-butyl-[1,3]oxazolo[4,5-c]pyridine (CID 67678705) is 4,7-ditert-butyl-[1,3]oxazolo[4,5-c]pyridine.
What is the SMILES notation for 4,7-ditert-butyl-[1,3]oxazolo[4,5-c]pyridine?
The canonical SMILES for 4,7-ditert-butyl-[1,3]oxazolo[4,5-c]pyridine is CC(C)(C)c1ncc(C(C)(C)C)c2ocnc12.
What is the InChIKey of 4,7-ditert-butyl-[1,3]oxazolo[4,5-c]pyridine?
The InChIKey is RFSBRWNBBDUVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-13(2,3)9-7-15-12(14(4,5)6)10-11(9)17-8-16-10/h7-8H,1-6H3.
What are the key properties of 4,7-ditert-butyl-[1,3]oxazolo[4,5-c]pyridine?
4,7-ditert-butyl-[1,3]oxazolo[4,5-c]pyridine has a molecular weight of 232.33 g/mol, XLogP of 3.82, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-ditert-butyl-[1,3]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 67678705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).