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

• ChemBase ID: 501997
• Molecular Formular: C22H25N3O2
• Molecular Mass: 363.4528
• Monoisotopic Mass: 363.19467706
• SMILES: N1(c2cc(c3cc(OC)ccc3)ccc2)CCC(NCc2nocc2)CC1
• Canonical SMILES: COc1cccc(c1)c1cccc(c1)N1CCC(CC1)NCc1nocc1
• InChI: InChI=1S/C22H25N3O2/c1-26-22-7-3-5-18(15-22)17-4-2-6-21(14-17)25-11-8-19(9-12-25)23-16-20-10-13-27-24-20/h2-7,10,13-15,19,23H,8-9,11-12,16H2,1H3
• InChIKey: YXORUGILMBNXGK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[3-(3-methoxyphenyl)phenyl]-N-(1,2-oxazol-3-ylmethyl)piperidin-4-amine
• IUPAC Traditional name: 1-[3-(3-methoxyphenyl)phenyl]-N-(1,2-oxazol-3-ylmethyl)piperidin-4-amine
• Synonyms: N-(3-isoxazolylmethyl)-1-(3'-methoxy-3-biphenylyl)-4-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.94490415
• LogD (pH = 7.4): 2.6989357
• Log P: 3.3850923
• Molar Refractivity: 107.7748 cm^3
• Polarizability: 42.377686 Å^3
• Polar Surface Area: 50.53 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.49
• LOG S: -3.83
• Polar Surface Area: 50.53 Å^2
• Rotatable Bonds: 6