2-(4-{7-methylimidazo[1,2-a]pyridine-2-carbonyl}piperazin-1-yl)-1,3-benzoxazole

• ChemBase ID: 508248
• Molecular Formular: C20H19N5O2
• Molecular Mass: 361.39716
• Monoisotopic Mass: 361.15387487
• SMILES: c1(nc2n(c1)ccc(c2)C)C(=O)N1CCN(c2nc3c(o2)cccc3)CC1
• Canonical SMILES: Cc1ccn2c(c1)nc(c2)C(=O)N1CCN(CC1)c1nc2c(o1)cccc2
• InChI: InChI=1S/C20H19N5O2/c1-14-6-7-25-13-16(21-18(25)12-14)19(26)23-8-10-24(11-9-23)20-22-15-4-2-3-5-17(15)27-20/h2-7,12-13H,8-11H2,1H3
• InChIKey: VSSJVOBYWKREEW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-{7-methylimidazo[1,2-a]pyridine-2-carbonyl}piperazin-1-yl)-1,3-benzoxazole
• IUPAC Traditional name: 2-(4-{7-methylimidazo[1,2-a]pyridine-2-carbonyl}piperazin-1-yl)-1,3-benzoxazole
• Synonyms: 2-{4-[(7-methylimidazo[1,2-a]pyridin-2-yl)carbonyl]-1-piperazinyl}-1,3-benzoxazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.7211225
• LogD (pH = 7.4): 2.7258623
• Log P: 2.725923
• Molar Refractivity: 102.1644 cm^3
• Polarizability: 38.753635 Å^3
• Polar Surface Area: 66.88 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.68
• LOG S: -4.92
• Polar Surface Area: 66.88 Å^2
• Rotatable Bonds: 2