1-{3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]phenyl}imidazolidin-2-one

• ChemBase ID: 736247
• Molecular Formular: C15H16N4O3
• Molecular Mass: 300.31254
• Monoisotopic Mass: 300.12224039
• SMILES: n1c(noc1c1cc(N2C(=O)NCC2)ccc1)C1COCC1
• Canonical SMILES: O=C1NCCN1c1cccc(c1)c1onc(n1)C1COCC1
• InChI: InChI=1S/C15H16N4O3/c20-15-16-5-6-19(15)12-3-1-2-10(8-12)14-17-13(18-22-14)11-4-7-21-9-11/h1-3,8,11H,4-7,9H2,(H,16,20)
• InChIKey: YOYDZHNNAVAOCU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]phenyl}imidazolidin-2-one
• IUPAC Traditional name: 1-{3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]phenyl}imidazolidin-2-one
• Synonyms: 1-{3-[3-(tetrahydrofuran-3-yl)-1,2,4-oxadiazol-5-yl]phenyl}imidazolidin-2-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.585192
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.3492937
• LogD (pH = 7.4): 1.3492938
• Log P: 1.3492938
• Molar Refractivity: 89.9791 cm^3
• Polarizability: 30.14021 Å^3
• Polar Surface Area: 80.49 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.1
• LOG S: -2.79
• Polar Surface Area: 80.49 Å^2
• Rotatable Bonds: 3