2-[4-(1,3-benzoxazol-2-yl)naphthalen-1-yl]-1,3-benzoxazole

• ChemBase ID: 288654
• Molecular Formular: C24H14N2O2
• Molecular Mass: 362.38016
• Monoisotopic Mass: 362.1055277
• SMILES: c1(c2nc3ccccc3o2)c2ccccc2c(c2nc3ccccc3o2)cc1
• Canonical SMILES: c1ccc2c(c1)c(ccc2c1nc2c(o1)cccc2)c1nc2c(o1)cccc2
• InChI: InChI=1S/C24H14N2O2/c1-2-8-16-15(7-1)17(23-25-19-9-3-5-11-21(19)27-23)13-14-18(16)24-26-20-10-4-6-12-22(20)28-24/h1-14H
• InChIKey: WFYSPVCBIJCZPX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(1,3-benzoxazol-2-yl)naphthalen-1-yl]-1,3-benzoxazole
• IUPAC Traditional name: 2-[4-(1,3-benzoxazol-2-yl)naphthalen-1-yl]-1,3-benzoxazole
• Synonyms: 1,4-Bis(benzo[d]oxazol-2-yl)naphthalene

Database IDs

• CAS Number: 5089-22-5
• MDL Number: MFCD00357168
• PubChem SID: 180674185
• PubChem CID: 78769

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.7054996
• LogD (pH = 7.4): 5.705502
• Log P: 5.705502
• Molar Refractivity: 126.0416 cm^3
• Polarizability: 45.665966 Å^3
• Polar Surface Area: 52.06 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 95+%