1-[3-(furan-2-yl)phenyl]-N-(1,2-oxazol-3-ylmethyl)piperidin-4-amine

• ChemBase ID: 776883
• Molecular Formular: C19H21N3O2
• Molecular Mass: 323.38894
• Monoisotopic Mass: 323.16337693
• SMILES: N1(c2cc(c3occc3)ccc2)CCC(NCc2nocc2)CC1
• Canonical SMILES: o1ccc(n1)CNC1CCN(CC1)c1cccc(c1)c1ccco1
• InChI: InChI=1S/C19H21N3O2/c1-3-15(19-5-2-11-23-19)13-18(4-1)22-9-6-16(7-10-22)20-14-17-8-12-24-21-17/h1-5,8,11-13,16,20H,6-7,9-10,14H2
• InChIKey: WDANPBGHLBZAOB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[3-(furan-2-yl)phenyl]-N-(1,2-oxazol-3-ylmethyl)piperidin-4-amine
• IUPAC Traditional name: 1-[3-(furan-2-yl)phenyl]-N-(1,2-oxazol-3-ylmethyl)piperidin-4-amine
• Synonyms: 1-[3-(2-furyl)phenyl]-N-(3-isoxazolylmethyl)-4-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.17662546
• LogD (pH = 7.4): 1.9172019
• Log P: 2.6030102
• Molar Refractivity: 93.7025 cm^3
• Polarizability: 36.709816 Å^3
• Polar Surface Area: 54.44 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: 2.94
• LOG S: -3.06
• Polar Surface Area: 54.44 Å^2
• Rotatable Bonds: 5