(1,2-oxazol-3-ylmethyl)({[2-(piperidin-1-yl)-2,3-dihydro-1H-inden-2-yl]methyl})amine

• ChemBase ID: 828744
• Molecular Formular: C19H25N3O
• Molecular Mass: 311.4213
• Monoisotopic Mass: 311.19976244
• SMILES: C1(N2CCCCC2)(Cc2c(C1)cccc2)CNCc1nocc1
• Canonical SMILES: C1CCN(CC1)C1(CNCc2ccon2)Cc2c(C1)cccc2
• InChI: InChI=1S/C19H25N3O/c1-4-9-22(10-5-1)19(15-20-14-18-8-11-23-21-18)12-16-6-2-3-7-17(16)13-19/h2-3,6-8,11,20H,1,4-5,9-10,12-15H2
• InChIKey: BXIKGFFCLRQFRG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1,2-oxazol-3-ylmethyl)({[2-(piperidin-1-yl)-2,3-dihydro-1H-inden-2-yl]methyl})amine
• IUPAC Traditional name: (1,2-oxazol-3-ylmethyl)({[2-(piperidin-1-yl)-1,3-dihydroinden-2-yl]methyl})amine
• Synonyms: (3-isoxazolylmethyl){[2-(1-piperidinyl)-2,3-dihydro-1H-inden-2-yl]methyl}amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.3914713
• LogD (pH = 7.4): 1.2260185
• Log P: 2.883181
• Molar Refractivity: 92.6239 cm^3
• Polarizability: 35.762516 Å^3
• Polar Surface Area: 41.3 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.82
• LOG S: -2.82
• Polar Surface Area: 41.3 Å^2
• Rotatable Bonds: 5