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

• ChemBase ID: 86370
• Molecular Formular: C18H11Cl2N3OS
• Molecular Mass: 388.27044
• Monoisotopic Mass: 386.99998835
• SMILES: n1c(c2cc(nc(c2)Cl)Cl)scc1c1c(onc1c1ccccc1)C
• Canonical SMILES: Clc1nc(Cl)cc(c1)c1scc(n1)c1c(C)onc1c1ccccc1
• InChI: InChI=1S/C18H11Cl2N3OS/c1-10-16(17(23-24-10)11-5-3-2-4-6-11)13-9-25-18(21-13)12-7-14(19)22-15(20)8-12/h2-9H,1H3
• InChIKey: BDRTYTIBEAZPMC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dichloro-4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]pyridine
• IUPAC Traditional name: 2,6-dichloro-4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]pyridine
• Synonyms: 2,6-dichloro-4-[4-(5-methyl-3-phenylisoxazol-4-yl)-1,3-thiazol-2-yl]pyridine

Database IDs

• MDL Number: MFCD01765056
• PubChem SID: 162073486
• PubChem CID: 2798626

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.7178106
• LogD (pH = 7.4): 5.717838
• Log P: 5.7178383
• Molar Refractivity: 112.0634 cm^3
• Polarizability: 41.012688 Å^3
• Polar Surface Area: 51.81 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false