5-{1-[2-(1-methylpyrrolidin-2-yl)ethyl]-1H-imidazol-2-yl}-3-phenyl-1,2,4-oxadiazole

• ChemBase ID: 787519
• Molecular Formular: C18H21N5O
• Molecular Mass: 323.39224
• Monoisotopic Mass: 323.17461032
• SMILES: c1(nc(no1)c1ccccc1)c1n(ccn1)CCC1N(CCC1)C
• Canonical SMILES: CN1CCCC1CCn1ccnc1c1onc(n1)c1ccccc1
• InChI: InChI=1S/C18H21N5O/c1-22-11-5-8-15(22)9-12-23-13-10-19-17(23)18-20-16(21-24-18)14-6-3-2-4-7-14/h2-4,6-7,10,13,15H,5,8-9,11-12H2,1H3
• InChIKey: RAPDIODUMRYFNU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-{1-[2-(1-methylpyrrolidin-2-yl)ethyl]-1H-imidazol-2-yl}-3-phenyl-1,2,4-oxadiazole
• IUPAC Traditional name: 5-{1-[2-(1-methylpyrrolidin-2-yl)ethyl]imidazol-2-yl}-3-phenyl-1,2,4-oxadiazole
• Synonyms: 5-{1-[2-(1-methylpyrrolidin-2-yl)ethyl]-1H-imidazol-2-yl}-3-phenyl-1,2,4-oxadiazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.39033058
• LogD (pH = 7.4): 0.7189649
• Log P: 3.1840746
• Molar Refractivity: 125.0994 cm^3
• Polarizability: 35.75431 Å^3
• Polar Surface Area: 59.98 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.4
• LOG S: -3.45
• Polar Surface Area: 59.98 Å^2
• Rotatable Bonds: 5