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

• ChemBase ID: 687122
• Molecular Formular: C20H15N5O2
• Molecular Mass: 357.3654
• Monoisotopic Mass: 357.12257475
• SMILES: c1(c2n(c3cc4nc([nH]c4cc3)CO)ccn2)cc(no1)c1ccccc1
• Canonical SMILES: OCc1[nH]c2c(n1)cc(cc2)n1ccnc1c1onc(c1)c1ccccc1
• InChI: InChI=1S/C20H15N5O2/c26-12-19-22-15-7-6-14(10-17(15)23-19)25-9-8-21-20(25)18-11-16(24-27-18)13-4-2-1-3-5-13/h1-11,26H,12H2,(H,22,23)
• InChIKey: TWICIOFOWWAKFI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Polar Surface Area: 92.76 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• Acid pKa: 11.970923
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.582469
• LogD (pH = 7.4): 2.6696699
• Log P: 2.6708777
• Molar Refractivity: 120.2451 cm^3
• Polarizability: 41.46044 Å^3

供应商提供(Chembridge)

• Polar Surface Area: 92.76 Å^2
• Rotatable Bonds: 4
• H Acceptors: 5
• H Donor: 2
• Log P: 2.14
• LOG S: -3.63