5-(ethoxymethyl)-3-(1-phenylcyclopropyl)-1,2,4-oxadiazole

• ChemBase ID: 516216
• Molecular Formular: C14H16N2O2
• Molecular Mass: 244.28904
• Monoisotopic Mass: 244.12117776
• SMILES: c1(C2(CC2)c2ccccc2)nc(on1)COCC
• Canonical SMILES: CCOCc1onc(n1)C1(CC1)c1ccccc1
• InChI: InChI=1S/C14H16N2O2/c1-2-17-10-12-15-13(16-18-12)14(8-9-14)11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3
• InChIKey: DLXSOBVTLIWAAZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(ethoxymethyl)-3-(1-phenylcyclopropyl)-1,2,4-oxadiazole
• IUPAC Traditional name: 5-(ethoxymethyl)-3-(1-phenylcyclopropyl)-1,2,4-oxadiazole
• Synonyms: 5-(ethoxymethyl)-3-(1-phenylcyclopropyl)-1,2,4-oxadiazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.0961127
• LogD (pH = 7.4): 3.0961127
• Log P: 3.0961127
• Molar Refractivity: 79.4308 cm^3
• Polarizability: 25.960745 Å^3
• Polar Surface Area: 48.15 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.07
• LOG S: -2.75
• Polar Surface Area: 48.15 Å^2
• Rotatable Bonds: 5