N-{[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl}-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine

• ChemBase ID: 626422
• Molecular Formular: C18H19N3O3
• Molecular Mass: 325.36176
• Monoisotopic Mass: 325.14264148
• SMILES: n1c(onc1CNC1Cc2c(ccc(c2)OC)CC1)c1occc1
• Canonical SMILES: COc1ccc2c(c1)CC(CC2)NCc1noc(n1)c1ccco1
• InChI: InChI=1S/C18H19N3O3/c1-22-15-7-5-12-4-6-14(9-13(12)10-15)19-11-17-20-18(24-21-17)16-3-2-8-23-16/h2-3,5,7-8,10,14,19H,4,6,9,11H2,1H3
• InChIKey: SKRSPZLSTFUKIB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl}-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
• IUPAC Traditional name: N-{[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl}-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
• Synonyms: N-{[5-(2-furyl)-1,2,4-oxadiazol-3-yl]methyl}-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.0681682
• LogD (pH = 7.4): 2.7573407
• Log P: 3.2118764
• Molar Refractivity: 100.3369 cm^3
• Polarizability: 34.565666 Å^3
• Polar Surface Area: 73.32 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 2.81
• LOG S: -2.96
• Polar Surface Area: 73.32 Å^2
• Rotatable Bonds: 5