2-(4-chlorophenyl)-4-[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]morpholine

• ChemBase ID: 788334
• Molecular Formular: C15H18ClN3O2
• Molecular Mass: 307.77532
• Monoisotopic Mass: 307.10875451
• SMILES: n1c(noc1C(C)C)N1CC(c2ccc(cc2)Cl)OCC1
• Canonical SMILES: Clc1ccc(cc1)C1OCCN(C1)c1noc(n1)C(C)C
• InChI: InChI=1S/C15H18ClN3O2/c1-10(2)14-17-15(18-21-14)19-7-8-20-13(9-19)11-3-5-12(16)6-4-11/h3-6,10,13H,7-9H2,1-2H3
• InChIKey: RPLDLDVUQNMBDH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-chlorophenyl)-4-[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]morpholine
• IUPAC Traditional name: 2-(4-chlorophenyl)-4-(5-isopropyl-1,2,4-oxadiazol-3-yl)morpholine
• Synonyms: 2-(4-chlorophenyl)-4-(5-isopropyl-1,2,4-oxadiazol-3-yl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.9744716
• LogD (pH = 7.4): 3.9744728
• Log P: 3.9744728
• Molar Refractivity: 82.8529 cm^3
• Polarizability: 30.84543 Å^3
• Polar Surface Area: 51.39 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.31
• LOG S: -3.42
• Polar Surface Area: 51.39 Å^2
• Rotatable Bonds: 3