3,3-ditert-butyl-2H-1,2-benzoxazole

C15H23NO — CID 59541087

IUPAC3,3-ditert-butyl-2H-1,2-benzoxazole
SMILESCC(C)(C)C1(C(C)(C)C)NOc2ccccc21
InChIInChI=1S/C15H23NO/c1-13(2,3)15(14(4,5)6)11-9-7-8-10-12(11)17-16-15/h7-10,16H,1-6H3
InChIKeyHDMNIJDJSJOVTO-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.87
Rot. Bonds

About 3,3-ditert-butyl-2H-1,2-benzoxazole

3,3-ditert-butyl-2H-1,2-benzoxazole (PubChem CID 59541087) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 3,3-ditert-butyl-2H-1,2-benzoxazole.

Molecular Properties

Compound Name3,3-ditert-butyl-2H-1,2-benzoxazole
PubChem CID59541087
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name3,3-ditert-butyl-2H-1,2-benzoxazole
SMILESCC(C)(C)C1(C(C)(C)C)NOc2ccccc21
InChIInChI=1S/C15H23NO/c1-13(2,3)15(14(4,5)6)11-9-7-8-10-12(11)17-16-15/h7-10,16H,1-6H3
InChIKeyHDMNIJDJSJOVTO-UHFFFAOYSA-N
XLogP3.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-ditert-butyl-2H-1,2-benzoxazole?
The IUPAC name of 3,3-ditert-butyl-2H-1,2-benzoxazole (CID 59541087) is 3,3-ditert-butyl-2H-1,2-benzoxazole.
What is the SMILES notation for 3,3-ditert-butyl-2H-1,2-benzoxazole?
The canonical SMILES for 3,3-ditert-butyl-2H-1,2-benzoxazole is CC(C)(C)C1(C(C)(C)C)NOc2ccccc21.
What is the InChIKey of 3,3-ditert-butyl-2H-1,2-benzoxazole?
The InChIKey is HDMNIJDJSJOVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-13(2,3)15(14(4,5)6)11-9-7-8-10-12(11)17-16-15/h7-10,16H,1-6H3.
What are the key properties of 3,3-ditert-butyl-2H-1,2-benzoxazole?
3,3-ditert-butyl-2H-1,2-benzoxazole has a molecular weight of 233.35 g/mol, XLogP of 3.87, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-ditert-butyl-2H-1,2-benzoxazole is sourced from PubChem (CID 59541087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).