5,7-ditert-butyl-1,3-benzoxazole

C15H21NO — CID 15247798

IUPAC5,7-ditert-butyl-1,3-benzoxazole
SMILESCC(C)(C)c1cc(C(C)(C)C)c2ocnc2c1
InChIInChI=1S/C15H21NO/c1-14(2,3)10-7-11(15(4,5)6)13-12(8-10)16-9-17-13/h7-9H,1-6H3
InChIKeyMSGSZPQLXVTSKG-UHFFFAOYSA-N
MW231.34 g/mol
LogP4.42
Rot. Bonds

About 5,7-ditert-butyl-1,3-benzoxazole

5,7-ditert-butyl-1,3-benzoxazole (PubChem CID 15247798) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 5,7-ditert-butyl-1,3-benzoxazole.

Molecular Properties

Compound Name5,7-ditert-butyl-1,3-benzoxazole
PubChem CID15247798
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name5,7-ditert-butyl-1,3-benzoxazole
SMILESCC(C)(C)c1cc(C(C)(C)C)c2ocnc2c1
InChIInChI=1S/C15H21NO/c1-14(2,3)10-7-11(15(4,5)6)13-12(8-10)16-9-17-13/h7-9H,1-6H3
InChIKeyMSGSZPQLXVTSKG-UHFFFAOYSA-N
XLogP4.42
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5,7-ditert-butyl-1,3-benzoxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,7-ditert-butyl-1,3-benzoxazole?
The IUPAC name of 5,7-ditert-butyl-1,3-benzoxazole (CID 15247798) is 5,7-ditert-butyl-1,3-benzoxazole.
What is the SMILES notation for 5,7-ditert-butyl-1,3-benzoxazole?
The canonical SMILES for 5,7-ditert-butyl-1,3-benzoxazole is CC(C)(C)c1cc(C(C)(C)C)c2ocnc2c1.
What is the InChIKey of 5,7-ditert-butyl-1,3-benzoxazole?
The InChIKey is MSGSZPQLXVTSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-14(2,3)10-7-11(15(4,5)6)13-12(8-10)16-9-17-13/h7-9H,1-6H3.
What are the key properties of 5,7-ditert-butyl-1,3-benzoxazole?
5,7-ditert-butyl-1,3-benzoxazole has a molecular weight of 231.34 g/mol, XLogP of 4.42, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-ditert-butyl-1,3-benzoxazole is sourced from PubChem (CID 15247798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).