2,6-dichloro-4-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]pyridine

• ChemBase ID: 84539
• Molecular Formular: C10H4Cl2N4O2
• Molecular Mass: 283.07036
• Monoisotopic Mass: 281.97113075
• SMILES: o1c(nnc1c1cc(nc(c1)Cl)Cl)c1ccno1
• Canonical SMILES: Clc1nc(Cl)cc(c1)c1nnc(o1)c1ccno1
• InChI: InChI=1S/C10H4Cl2N4O2/c11-7-3-5(4-8(12)14-7)9-15-16-10(17-9)6-1-2-13-18-6/h1-4H
• InChIKey: ZMOJOQWGYBCXLM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dichloro-4-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]pyridine
• IUPAC Traditional name: 2,6-dichloro-4-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]pyridine
• Synonyms: 2-(2,6-Dichloropyridin-4-yl)-5-isoxazol-5-yl-1,3,4-oxadiazole

Database IDs

• MDL Number: MFCD00106310
• PubChem SID: 162071655
• PubChem CID: 2782184

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.7195438
• LogD (pH = 7.4): 1.7195438
• Log P: 1.7195438
• Molar Refractivity: 88.0816 cm^3
• Polarizability: 25.14006 Å^3
• Polar Surface Area: 77.84 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 182-184°C

Safety Information

• Storage Warning: Irritant