4-methyl-2-phenyl-1,3-oxazole

• ChemBase ID: 101118
• Molecular Formular: C10H9NO
• Molecular Mass: 159.18456
• Monoisotopic Mass: 159.06841391
• SMILES: n1c(occ1C)c1ccccc1
• Canonical SMILES: Cc1coc(n1)c1ccccc1
• InChI: InChI=1S/C10H9NO/c1-8-7-12-10(11-8)9-5-3-2-4-6-9/h2-7H,1H3
• InChIKey: KIDJISUVJMVGAN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-2-phenyl-1,3-oxazole
• IUPAC Traditional name: 4-methyl-2-phenyl-1,3-oxazole
• Synonyms: 4-methyl-2-phenyl-1,3-oxazole

Database IDs

• CAS Number: 877-39-4
• MDL Number: MFCD11055268
• PubChem SID: 162086720
• PubChem CID: 594333

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.071274
• LogD (pH = 7.4): 2.0712776
• Log P: 2.0712776
• Molar Refractivity: 56.4605 cm^3
• Polarizability: 18.3588 Å^3
• Polar Surface Area: 26.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 90%