4-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]morpholine

• ChemBase ID: 603928
• Molecular Formular: C17H20N4O3
• Molecular Mass: 328.3657
• Monoisotopic Mass: 328.15354052
• SMILES: n1c(onc1c1ccccc1)C1N(C(=O)N2CCOCC2)CCC1
• Canonical SMILES: O=C(N1CCCC1c1onc(n1)c1ccccc1)N1CCOCC1
• InChI: InChI=1S/C17H20N4O3/c22-17(20-9-11-23-12-10-20)21-8-4-7-14(21)16-18-15(19-24-16)13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12H2
• InChIKey: VBBSCEBFHMROAA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]morpholine
• IUPAC Traditional name: 4-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]morpholine
• Synonyms: 4-{[2-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyrrolidinyl]carbonyl}morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.0182953
• LogD (pH = 7.4): 2.0182953
• Log P: 2.0182953
• Molar Refractivity: 99.057 cm^3
• Polarizability: 33.894882 Å^3
• Polar Surface Area: 71.7 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.72
• LOG S: -3.06
• Polar Surface Area: 71.7 Å^2
• Rotatable Bonds: 2