2-chloro-5-(4-methylphenyl)-1,3-oxazole

• ChemBase ID: 813744
• Molecular Formular: C10H8ClNO
• Molecular Mass: 193.62962
• Monoisotopic Mass: 193.02944156
• SMILES: o1c(ncc1c1ccc(cc1)C)Cl
• Canonical SMILES: Cc1ccc(cc1)c1cnc(o1)Cl
• InChI: InChI=1S/C10H8ClNO/c1-7-2-4-8(5-3-7)9-6-12-10(11)13-9/h2-6H,1H3
• InChIKey: TWHIOOADUVRJSF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-5-(4-methylphenyl)-1,3-oxazole
• IUPAC Traditional name: 2-chloro-5-(4-methylphenyl)-1,3-oxazole
• Synonyms: 2-chloro-5-p-tolyloxazole

Database IDs

• CAS Number: 1060816-34-3

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.9097993
• LogD (pH = 7.4): 2.9097993
• Log P: 2.9097993
• Molar Refractivity: 51.8482 cm^3
• Polarizability: 21.03809 Å^3
• Polar Surface Area: 26.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%