5-methyl-4-[(4-methyl-1H-imidazol-1-yl)methyl]-2-(2-methylphenyl)-1,3-oxazole

• ChemBase ID: 535356
• Molecular Formular: C16H17N3O
• Molecular Mass: 267.32568
• Monoisotopic Mass: 267.13716218
• SMILES: c1(nc(c(o1)C)Cn1cnc(c1)C)c1c(C)cccc1
• Canonical SMILES: Cc1ncn(c1)Cc1nc(oc1C)c1ccccc1C
• InChI: InChI=1S/C16H17N3O/c1-11-6-4-5-7-14(11)16-18-15(13(3)20-16)9-19-8-12(2)17-10-19/h4-8,10H,9H2,1-3H3
• InChIKey: VEYJWFJEXJYZAQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-4-[(4-methyl-1H-imidazol-1-yl)methyl]-2-(2-methylphenyl)-1,3-oxazole
• IUPAC Traditional name: 5-methyl-4-[(4-methylimidazol-1-yl)methyl]-2-(2-methylphenyl)-1,3-oxazole
• Synonyms: 5-methyl-4-[(4-methyl-1H-imidazol-1-yl)methyl]-2-(2-methylphenyl)-1,3-oxazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.8862026
• LogD (pH = 7.4): 2.6376686
• Log P: 2.6954114
• Molar Refractivity: 88.5933 cm^3
• Polarizability: 30.048283 Å^3
• Polar Surface Area: 43.85 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.98
• LOG S: -3.69
• Polar Surface Area: 43.85 Å^2
• Rotatable Bonds: 3