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

• ChemBase ID: 510143
• Molecular Formular: C19H21N3O4
• Molecular Mass: 355.38774
• Monoisotopic Mass: 355.15320617
• SMILES: n1c(onc1CN1CC(OCC1)Cc1cc(OC)ccc1)c1occc1
• Canonical SMILES: COc1cccc(c1)CC1OCCN(C1)Cc1noc(n1)c1ccco1
• InChI: InChI=1S/C19H21N3O4/c1-23-15-5-2-4-14(10-15)11-16-12-22(7-9-24-16)13-18-20-19(26-21-18)17-6-3-8-25-17/h2-6,8,10,16H,7,9,11-13H2,1H3
• InChIKey: CVLPOTNWMJUTOA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.7645862
• LogD (pH = 7.4): 2.8735323
• Log P: 2.8751142
• Molar Refractivity: 106.7955 cm^3
• Polarizability: 37.189243 Å^3
• Polar Surface Area: 73.76 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 2.73
• LOG S: -3.12
• Polar Surface Area: 73.76 Å^2
• Rotatable Bonds: 6