4-(naphthalen-1-yl)-2-{4-[4-(naphthalen-1-yl)-1,3-oxazol-2-yl]phenyl}-1,3-oxazole

• ChemBase ID: 107965
• Molecular Formular: C32H20N2O2
• Molecular Mass: 464.5134
• Monoisotopic Mass: 464.15247789
• SMILES: o1cc(nc1c1ccc(cc1)c1nc(co1)c1cccc2ccccc12)c1cccc2ccccc12
• Canonical SMILES: c1ccc2c(c1)c(ccc2)c1coc(n1)c1ccc(cc1)c1occ(n1)c1cccc2c1cccc2
• InChI: InChI=1S/C32H20N2O2/c1-3-11-25-21(7-1)9-5-13-27(25)29-19-35-31(33-29)23-15-17-24(18-16-23)32-34-30(20-36-32)28-14-6-10-22-8-2-4-12-26(22)28/h1-20H
• InChIKey: MISCKYDOYQRYLW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(naphthalen-1-yl)-2-{4-[4-(naphthalen-1-yl)-1,3-oxazol-2-yl]phenyl}-1,3-oxazole
• IUPAC Traditional name: 4-(naphthalen-1-yl)-2-{4-[4-(naphthalen-1-yl)-1,3-oxazol-2-yl]phenyl}-1,3-oxazole
• Synonyms: 1,4-bis-(1-NAPHTHYLOXAZOLYL)BENZENE

Database IDs

• CAS Number: 20739-77-9
• PubChem SID: 162089125
• PubChem CID: 25021317

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 7.951673
• LogD (pH = 7.4): 7.951674
• Log P: 7.951674
• Molar Refractivity: 160.1088 cm^3
• Polarizability: 60.230347 Å^3
• Polar Surface Area: 52.06 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

DETAILS

MP Biomedicals - 05205617

MP Biomedicals Rare Chemical collection