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

• ChemBase ID: 813743
• Molecular Formular: C10H8ClNO2
• Molecular Mass: 209.62902
• Monoisotopic Mass: 209.02435618
• SMILES: o1c(ncc1c1ccc(cc1)OC)Cl
• Canonical SMILES: COc1ccc(cc1)c1cnc(o1)Cl
• InChI: InChI=1S/C10H8ClNO2/c1-13-8-4-2-7(3-5-8)9-6-12-10(11)14-9/h2-6H,1H3
• InChIKey: HQXSNMXINMEHHW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1060816-32-1

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.2387066
• LogD (pH = 7.4): 2.2387068
• Log P: 2.2387068
• Molar Refractivity: 53.2702 cm^3
• Polarizability: 21.791962 Å^3
• Polar Surface Area: 35.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%