2-methyl-5-{[2-(3-phenyl-1,2-oxazol-5-yl)-1H-imidazol-1-yl]methyl}pyrazine

• ChemBase ID: 387602
• Molecular Formular: C18H15N5O
• Molecular Mass: 317.3446
• Monoisotopic Mass: 317.12766013
• SMILES: c1(c2n(Cc3ncc(nc3)C)ccn2)cc(no1)c1ccccc1
• Canonical SMILES: Cc1cnc(cn1)Cn1ccnc1c1onc(c1)c1ccccc1
• InChI: InChI=1S/C18H15N5O/c1-13-10-21-15(11-20-13)12-23-8-7-19-18(23)17-9-16(22-24-17)14-5-3-2-4-6-14/h2-11H,12H2,1H3
• InChIKey: CHHADOWOUCBDHW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-5-{[2-(3-phenyl-1,2-oxazol-5-yl)-1H-imidazol-1-yl]methyl}pyrazine
• IUPAC Traditional name: 2-methyl-5-{[2-(3-phenyl-1,2-oxazol-5-yl)imidazol-1-yl]methyl}pyrazine
• Synonyms: 2-methyl-5-{[2-(3-phenylisoxazol-5-yl)-1H-imidazol-1-yl]methyl}pyrazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.8839822
• LogD (pH = 7.4): 1.9222991
• Log P: 1.9228146
• Molar Refractivity: 99.4629 cm^3
• Polarizability: 35.7033 Å^3
• Polar Surface Area: 69.63 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.5
• LOG S: -1.94
• Polar Surface Area: 69.63 Å^2
• Rotatable Bonds: 4