4,5-ditert-butyl-1,3-oxazole

C11H19NO — CID 21040197

IUPAC4,5-ditert-butyl-1,3-oxazole
SMILESCC(C)(C)c1ncoc1C(C)(C)C
InChIInChI=1S/C11H19NO/c1-10(2,3)8-9(11(4,5)6)13-7-12-8/h7H,1-6H3
InChIKeyRATKWNNNRSXPPC-UHFFFAOYSA-N
MW181.28 g/mol
LogP3.27
Rot. Bonds

About 4,5-ditert-butyl-1,3-oxazole

4,5-ditert-butyl-1,3-oxazole (PubChem CID 21040197) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 4,5-ditert-butyl-1,3-oxazole.

Molecular Properties

Compound Name4,5-ditert-butyl-1,3-oxazole
PubChem CID21040197
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name4,5-ditert-butyl-1,3-oxazole
SMILESCC(C)(C)c1ncoc1C(C)(C)C
InChIInChI=1S/C11H19NO/c1-10(2,3)8-9(11(4,5)6)13-7-12-8/h7H,1-6H3
InChIKeyRATKWNNNRSXPPC-UHFFFAOYSA-N
XLogP3.27
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-ditert-butyl-1,3-oxazole?
The IUPAC name of 4,5-ditert-butyl-1,3-oxazole (CID 21040197) is 4,5-ditert-butyl-1,3-oxazole.
What is the SMILES notation for 4,5-ditert-butyl-1,3-oxazole?
The canonical SMILES for 4,5-ditert-butyl-1,3-oxazole is CC(C)(C)c1ncoc1C(C)(C)C.
What is the InChIKey of 4,5-ditert-butyl-1,3-oxazole?
The InChIKey is RATKWNNNRSXPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-10(2,3)8-9(11(4,5)6)13-7-12-8/h7H,1-6H3.
What are the key properties of 4,5-ditert-butyl-1,3-oxazole?
4,5-ditert-butyl-1,3-oxazole has a molecular weight of 181.28 g/mol, XLogP of 3.27, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-ditert-butyl-1,3-oxazole is sourced from PubChem (CID 21040197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).