4-[4-(chloromethyl)-5-methyl-1,3-oxazol-2-yl]pyridine

• ChemBase ID: 91020
• Molecular Formular: C10H9ClN2O
• Molecular Mass: 208.64426
• Monoisotopic Mass: 208.0403406
• SMILES: n1c(c2ccncc2)oc(c1CCl)C
• Canonical SMILES: ClCc1nc(oc1C)c1ccncc1
• InChI: InChI=1S/C10H9ClN2O/c1-7-9(6-11)13-10(14-7)8-2-4-12-5-3-8/h2-5H,6H2,1H3
• InChIKey: ZHKXUUIUQRTXIK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[4-(chloromethyl)-5-methyl-1,3-oxazol-2-yl]pyridine
• IUPAC Traditional name: 4-[4-(chloromethyl)-5-methyl-1,3-oxazol-2-yl]pyridine
• Synonyms: 4-Chloromethyl-5-methyl-2-(pyridin-4-yl)oxazole 95%

Database IDs

• MDL Number: MFCD08056335
• PubChem SID: 162077724
• PubChem CID: 26967398

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.5892776
• LogD (pH = 7.4): 1.5904948
• Log P: 1.5905104
• Molar Refractivity: 64.2065 cm^3
• Polarizability: 21.122011 Å^3
• Polar Surface Area: 38.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true