5-methoxy-2-(4-phenyl-1,2-oxazol-5-yl)-4-propylphenol

• ChemBase ID: 182605
• Molecular Formular: C19H19NO3
• Molecular Mass: 309.35906
• Monoisotopic Mass: 309.13649347
• SMILES: c1(c2c(cc(c(c2)CCC)OC)O)c(cno1)c1ccccc1
• Canonical SMILES: CCCc1cc(c(cc1OC)O)c1oncc1c1ccccc1
• InChI: InChI=1S/C19H19NO3/c1-3-7-14-10-15(17(21)11-18(14)22-2)19-16(12-20-23-19)13-8-5-4-6-9-13/h4-6,8-12,21H,3,7H2,1-2H3
• InChIKey: GZPJNBWPOWLMHR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methoxy-2-(4-phenyl-1,2-oxazol-5-yl)-4-propylphenol
• IUPAC Traditional name: 5-methoxy-2-(4-phenyl-1,2-oxazol-5-yl)-4-propylphenol

Database IDs

• PubChem SID: 164238515
• PubChem CID: 16395484

CALCULATED PROPERTIES

• Acid pKa: 8.546077
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 4.493177
• LogD (pH = 7.4): 4.4638186
• Log P: 4.493565
• Molar Refractivity: 90.3372 cm^3
• Polarizability: 36.846992 Å^3
• Polar Surface Area: 55.49 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds