2,5-ditert-butyl-1,3-oxazole

C11H19NO — CID 12639618

IUPAC2,5-ditert-butyl-1,3-oxazole
SMILESCC(C)(C)c1cnc(C(C)(C)C)o1
InChIInChI=1S/C11H19NO/c1-10(2,3)8-7-12-9(13-8)11(4,5)6/h7H,1-6H3
InChIKeyLAECWCUYYXKGDE-UHFFFAOYSA-N
MW181.28 g/mol
LogP3.27
Rot. Bonds

About 2,5-ditert-butyl-1,3-oxazole

2,5-ditert-butyl-1,3-oxazole (PubChem CID 12639618) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 2,5-ditert-butyl-1,3-oxazole.

Molecular Properties

Compound Name2,5-ditert-butyl-1,3-oxazole
PubChem CID12639618
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name2,5-ditert-butyl-1,3-oxazole
SMILESCC(C)(C)c1cnc(C(C)(C)C)o1
InChIInChI=1S/C11H19NO/c1-10(2,3)8-7-12-9(13-8)11(4,5)6/h7H,1-6H3
InChIKeyLAECWCUYYXKGDE-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 2,5-ditert-butyl-1,3-oxazole?
The IUPAC name of 2,5-ditert-butyl-1,3-oxazole (CID 12639618) is 2,5-ditert-butyl-1,3-oxazole.
What is the SMILES notation for 2,5-ditert-butyl-1,3-oxazole?
The canonical SMILES for 2,5-ditert-butyl-1,3-oxazole is CC(C)(C)c1cnc(C(C)(C)C)o1.
What is the InChIKey of 2,5-ditert-butyl-1,3-oxazole?
The InChIKey is LAECWCUYYXKGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-10(2,3)8-7-12-9(13-8)11(4,5)6/h7H,1-6H3.
What are the key properties of 2,5-ditert-butyl-1,3-oxazole?
2,5-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 2,5-ditert-butyl-1,3-oxazole is sourced from PubChem (CID 12639618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).