N-(2,3-dihydro-1H-inden-5-yl)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholine-4-carboxamide

• ChemBase ID: 742778
• Molecular Formular: C19H24N4O3
• Molecular Mass: 356.41886
• Monoisotopic Mass: 356.18484065
• SMILES: C(=O)(N1CC(Cc2nc(on2)CC)OCC1)Nc1cc2c(cc1)CCC2
• Canonical SMILES: CCc1onc(n1)CC1OCCN(C1)C(=O)Nc1ccc2c(c1)CCC2
• InChI: InChI=1S/C19H24N4O3/c1-2-18-21-17(22-26-18)11-16-12-23(8-9-25-16)19(24)20-15-7-6-13-4-3-5-14(13)10-15/h6-7,10,16H,2-5,8-9,11-12H2,1H3,(H,20,24)
• InChIKey: OVYYZJOXTGOLHW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,3-dihydro-1H-inden-5-yl)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholine-4-carboxamide
• IUPAC Traditional name: N-(2,3-dihydro-1H-inden-5-yl)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholine-4-carboxamide
• Synonyms: N-(2,3-dihydro-1H-inden-5-yl)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholine-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.714744
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.2859454
• LogD (pH = 7.4): 3.2859454
• Log P: 3.2859457
• Molar Refractivity: 99.5234 cm^3
• Polarizability: 36.660954 Å^3
• Polar Surface Area: 80.49 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.76
• LOG S: -3.3
• Polar Surface Area: 80.49 Å^2
• Rotatable Bonds: 4