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

• ChemBase ID: 340339
• Molecular Formular: C21H23N3O3
• Molecular Mass: 365.42562
• Monoisotopic Mass: 365.17394161
• SMILES: n1c(onc1CN1CC(c2cc3c(cc(cc3)OC)cc2)OCC1)C1CC1
• Canonical SMILES: COc1ccc2c(c1)ccc(c2)C1OCCN(C1)Cc1noc(n1)C1CC1
• InChI: InChI=1S/C21H23N3O3/c1-25-18-7-6-15-10-17(5-4-16(15)11-18)19-12-24(8-9-26-19)13-20-22-21(27-23-20)14-2-3-14/h4-7,10-11,14,19H,2-3,8-9,12-13H2,1H3
• InChIKey: VBEUKRGFRLPLPP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.3456213
• LogD (pH = 7.4): 3.4169564
• Log P: 3.4179459
• Molar Refractivity: 102.8381 cm^3
• Polarizability: 40.452778 Å^3
• Polar Surface Area: 60.62 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: 2.86
• LOG S: -3.3
• Polar Surface Area: 60.62 Å^2
• Rotatable Bonds: 5