4-{[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl}-2-(6-methoxynaphthalen-2-yl)morpholine

• ChemBase ID: 696402
• Molecular Formular: C20H23N3O4
• Molecular Mass: 369.41432
• Monoisotopic Mass: 369.16885623
• SMILES: n1c(noc1COC)CN1CC(c2cc3c(cc(cc3)OC)cc2)OCC1
• Canonical SMILES: COCc1onc(n1)CN1CCOC(C1)c1ccc2c(c1)ccc(c2)OC
• InChI: InChI=1S/C20H23N3O4/c1-24-13-20-21-19(22-27-20)12-23-7-8-26-18(11-23)16-4-3-15-10-17(25-2)6-5-14(15)9-16/h3-6,9-10,18H,7-8,11-13H2,1-2H3
• InChIKey: ZVKCZZOCCNAJNX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl}-2-(6-methoxynaphthalen-2-yl)morpholine
• IUPAC Traditional name: 4-{[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl}-2-(6-methoxynaphthalen-2-yl)morpholine
• Synonyms: 4-{[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl}-2-(6-methoxy-2-naphthyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 2.4160075
• LogD (pH = 7.4): 2.4724104
• Log P: 2.473179
• Molar Refractivity: 101.8923 cm^3
• Polarizability: 40.10886 Å^3
• Polar Surface Area: 69.85 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: 2.72
• LOG S: -3.21
• Polar Surface Area: 69.85 Å^2
• Rotatable Bonds: 6