2-(cyclohexylmethyl)-4-{[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl}morpholine

• ChemBase ID: 525670
• Molecular Formular: C18H25N3O3
• Molecular Mass: 331.4094
• Monoisotopic Mass: 331.18959168
• SMILES: c1(nnc(o1)CN1CC(OCC1)CC1CCCCC1)c1occc1
• Canonical SMILES: C1CCC(CC1)CC1OCCN(C1)Cc1nnc(o1)c1ccco1
• InChI: InChI=1S/C18H25N3O3/c1-2-5-14(6-3-1)11-15-12-21(8-10-22-15)13-17-19-20-18(24-17)16-7-4-9-23-16/h4,7,9,14-15H,1-3,5-6,8,10-13H2
• InChIKey: FSEAQXUPTFQHBT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(cyclohexylmethyl)-4-{[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl}morpholine
• IUPAC Traditional name: 2-(cyclohexylmethyl)-4-{[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl}morpholine
• Synonyms: 2-(cyclohexylmethyl)-4-{[5-(2-furyl)-1,3,4-oxadiazol-2-yl]methyl}morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.9466082
• LogD (pH = 7.4): 2.3672802
• Log P: 2.3764305
• Molar Refractivity: 101.5135 cm^3
• Polarizability: 35.468716 Å^3
• Polar Surface Area: 64.53 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 2.37
• LOG S: -2.63
• Polar Surface Area: 64.53 Å^2
• Rotatable Bonds: 5