1-tert-butyl-4-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one

• ChemBase ID: 715705
• Molecular Formular: C15H24N4O3
• Molecular Mass: 308.37606
• Monoisotopic Mass: 308.18484065
• SMILES: N1(C(=O)CC(c2nc(no2)CN2CCOCC2)C1)C(C)(C)C
• Canonical SMILES: O=C1CC(CN1C(C)(C)C)c1onc(n1)CN1CCOCC1
• InChI: InChI=1S/C15H24N4O3/c1-15(2,3)19-9-11(8-13(19)20)14-16-12(17-22-14)10-18-4-6-21-7-5-18/h11H,4-10H2,1-3H3
• InChIKey: ILCSKBZUDLEPPU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-tert-butyl-4-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
• IUPAC Traditional name: 1-tert-butyl-4-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
• Synonyms: 1-tert-butyl-4-[3-(4-morpholinylmethyl)-1,2,4-oxadiazol-5-yl]-2-pyrrolidinone

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.28162098
• LogD (pH = 7.4): 0.29539198
• Log P: 0.2955704
• Molar Refractivity: 82.6451 cm^3
• Polarizability: 31.405537 Å^3
• Polar Surface Area: 71.7 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 0.15
• LOG S: -2.89
• Polar Surface Area: 71.7 Å^2
• Rotatable Bonds: 4