2-(4-chlorophenyl)-4-{[3-(pyridin-2-yl)-1,2-oxazol-5-yl]methyl}morpholine

• ChemBase ID: 603562
• Molecular Formular: C19H18ClN3O2
• Molecular Mass: 355.81812
• Monoisotopic Mass: 355.10875451
• SMILES: n1c(cc(o1)CN1CC(c2ccc(cc2)Cl)OCC1)c1ncccc1
• Canonical SMILES: Clc1ccc(cc1)C1OCCN(C1)Cc1onc(c1)c1ccccn1
• InChI: InChI=1S/C19H18ClN3O2/c20-15-6-4-14(5-7-15)19-13-23(9-10-24-19)12-16-11-18(22-25-16)17-3-1-2-8-21-17/h1-8,11,19H,9-10,12-13H2
• InChIKey: NUNXZASHAKIGFN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-chlorophenyl)-4-{[3-(pyridin-2-yl)-1,2-oxazol-5-yl]methyl}morpholine
• IUPAC Traditional name: 2-(4-chlorophenyl)-4-{[3-(pyridin-2-yl)-1,2-oxazol-5-yl]methyl}morpholine
• Synonyms: 2-(4-chlorophenyl)-4-[(3-pyridin-2-ylisoxazol-5-yl)methyl]morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.4821975
• LogD (pH = 7.4): 3.5125282
• Log P: 3.5702271
• Molar Refractivity: 96.3176 cm^3
• Polarizability: 38.51815 Å^3
• Polar Surface Area: 51.39 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.89
• LOG S: -2.4
• Polar Surface Area: 51.39 Å^2
• Rotatable Bonds: 4