4,7-ditert-butyl-[1,3]oxazolo[4,5-d]pyridazine

C13H19N3O — CID 59591260

IUPAC4,7-ditert-butyl-[1,3]oxazolo[4,5-d]pyridazine
SMILESCC(C)(C)c1nnc(C(C)(C)C)c2ocnc12
InChIInChI=1S/C13H19N3O/c1-12(2,3)10-8-9(17-7-14-8)11(16-15-10)13(4,5)6/h7H,1-6H3
InChIKeyFMANDWCGQBDCRV-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.21
Rot. Bonds

About 4,7-ditert-butyl-[1,3]oxazolo[4,5-d]pyridazine

4,7-ditert-butyl-[1,3]oxazolo[4,5-d]pyridazine (PubChem CID 59591260) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 4,7-ditert-butyl-[1,3]oxazolo[4,5-d]pyridazine.

Molecular Properties

Compound Name4,7-ditert-butyl-[1,3]oxazolo[4,5-d]pyridazine
PubChem CID59591260
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name4,7-ditert-butyl-[1,3]oxazolo[4,5-d]pyridazine
SMILESCC(C)(C)c1nnc(C(C)(C)C)c2ocnc12
InChIInChI=1S/C13H19N3O/c1-12(2,3)10-8-9(17-7-14-8)11(16-15-10)13(4,5)6/h7H,1-6H3
InChIKeyFMANDWCGQBDCRV-UHFFFAOYSA-N
XLogP3.21
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,7-ditert-butyl-[1,3]oxazolo[4,5-d]pyridazine?
The IUPAC name of 4,7-ditert-butyl-[1,3]oxazolo[4,5-d]pyridazine (CID 59591260) is 4,7-ditert-butyl-[1,3]oxazolo[4,5-d]pyridazine.
What is the SMILES notation for 4,7-ditert-butyl-[1,3]oxazolo[4,5-d]pyridazine?
The canonical SMILES for 4,7-ditert-butyl-[1,3]oxazolo[4,5-d]pyridazine is CC(C)(C)c1nnc(C(C)(C)C)c2ocnc12.
What is the InChIKey of 4,7-ditert-butyl-[1,3]oxazolo[4,5-d]pyridazine?
The InChIKey is FMANDWCGQBDCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-12(2,3)10-8-9(17-7-14-8)11(16-15-10)13(4,5)6/h7H,1-6H3.
What are the key properties of 4,7-ditert-butyl-[1,3]oxazolo[4,5-d]pyridazine?
4,7-ditert-butyl-[1,3]oxazolo[4,5-d]pyridazine has a molecular weight of 233.31 g/mol, XLogP of 3.21, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-ditert-butyl-[1,3]oxazolo[4,5-d]pyridazine is sourced from PubChem (CID 59591260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).