1-[3-(2-oxopyrrolidin-1-yl)propyl]-5-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-2-one

• ChemBase ID: 751216
• Molecular Formular: C17H26N4O3
• Molecular Mass: 334.41334
• Monoisotopic Mass: 334.20049071
• SMILES: n1c(C2CN(C(=O)CC2)CCCN2C(=O)CCC2)onc1C(C)C
• Canonical SMILES: O=C1CCC(CN1CCCN1CCCC1=O)c1onc(n1)C(C)C
• InChI: InChI=1S/C17H26N4O3/c1-12(2)16-18-17(24-19-16)13-6-7-15(23)21(11-13)10-4-9-20-8-3-5-14(20)22/h12-13H,3-11H2,1-2H3
• InChIKey: CCXFWGJLQHIRQZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[3-(2-oxopyrrolidin-1-yl)propyl]-5-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-2-one
• IUPAC Traditional name: 5-(3-isopropyl-1,2,4-oxadiazol-5-yl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidin-2-one
• Synonyms: 5-(3-isopropyl-1,2,4-oxadiazol-5-yl)-1-[3-(2-oxo-1-pyrrolidinyl)propyl]-2-piperidinone

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.9564998
• LogD (pH = 7.4): 0.9565
• Log P: 0.9565
• Molar Refractivity: 90.1894 cm^3
• Polarizability: 34.008366 Å^3
• Polar Surface Area: 79.54 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.17
• LOG S: -3.09
• Polar Surface Area: 79.54 Å^2
• Rotatable Bonds: 6