5-[2-(2-methyl-1,3-oxazol-4-yl)-1H-imidazol-1-yl]-N-phenylpyridin-2-amine

• ChemBase ID: 430264
• Molecular Formular: C18H15N5O
• Molecular Mass: 317.3446
• Monoisotopic Mass: 317.12766013
• SMILES: c1(c2n(c3cnc(Nc4ccccc4)cc3)ccn2)nc(oc1)C
• Canonical SMILES: Cc1occ(n1)c1nccn1c1ccc(nc1)Nc1ccccc1
• InChI: InChI=1S/C18H15N5O/c1-13-21-16(12-24-13)18-19-9-10-23(18)15-7-8-17(20-11-15)22-14-5-3-2-4-6-14/h2-12H,1H3,(H,20,22)
• InChIKey: NQZGFSPKVWEUGX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[2-(2-methyl-1,3-oxazol-4-yl)-1H-imidazol-1-yl]-N-phenylpyridin-2-amine
• IUPAC Traditional name: 5-[2-(2-methyl-1,3-oxazol-4-yl)imidazol-1-yl]-N-phenylpyridin-2-amine
• Synonyms: 5-[2-(2-methyl-1,3-oxazol-4-yl)-1H-imidazol-1-yl]-N-phenylpyridin-2-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 18.172535
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.8499117
• LogD (pH = 7.4): 3.0260427
• Log P: 3.028698
• Molar Refractivity: 110.5289 cm^3
• Polarizability: 35.277157 Å^3
• Polar Surface Area: 68.77 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.34
• LOG S: -3.51
• Polar Surface Area: 68.77 Å^2
• Rotatable Bonds: 4