5-benzyl-2-chloro-1,3-oxazole

• ChemBase ID: 814168
• Molecular Formular: C10H8ClNO
• Molecular Mass: 193.62962
• Monoisotopic Mass: 193.02944156
• SMILES: o1c(ncc1Cc1ccccc1)Cl
• Canonical SMILES: Clc1ncc(o1)Cc1ccccc1
• InChI: InChI=1S/C10H8ClNO/c11-10-12-7-9(13-10)6-8-4-2-1-3-5-8/h1-5,7H,6H2
• InChIKey: RFWJYPIXSYQBLO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-benzyl-2-chloro-1,3-oxazole
• IUPAC Traditional name: 5-benzyl-2-chloro-1,3-oxazole
• Synonyms: 5-benzyl-2-chlorooxazole

Database IDs

• CAS Number: 1196154-16-1

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.685039
• LogD (pH = 7.4): 2.6850393
• Log P: 2.6850393
• Molar Refractivity: 51.562 cm^3
• Polarizability: 19.686647 Å^3
• Polar Surface Area: 26.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%