4-[3-(5-cyclopentyl-4-phenyl-1H-imidazol-1-yl)propyl]-3,5-dimethyl-1,2-oxazole

• ChemBase ID: 581997
• Molecular Formular: C22H27N3O
• Molecular Mass: 349.46928
• Monoisotopic Mass: 349.2154125
• SMILES: n1c(c(n(c1)CCCc1c(onc1C)C)C1CCCC1)c1ccccc1
• Canonical SMILES: Cc1onc(c1CCCn1cnc(c1C1CCCC1)c1ccccc1)C
• InChI: InChI=1S/C22H27N3O/c1-16-20(17(2)26-24-16)13-8-14-25-15-23-21(18-9-4-3-5-10-18)22(25)19-11-6-7-12-19/h3-5,9-10,15,19H,6-8,11-14H2,1-2H3
• InChIKey: CHWUPYJOGACMPP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[3-(5-cyclopentyl-4-phenyl-1H-imidazol-1-yl)propyl]-3,5-dimethyl-1,2-oxazole
• IUPAC Traditional name: 4-[3-(5-cyclopentyl-4-phenylimidazol-1-yl)propyl]-3,5-dimethyl-1,2-oxazole
• Synonyms: 4-[3-(5-cyclopentyl-4-phenyl-1H-imidazol-1-yl)propyl]-3,5-dimethylisoxazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.2093463
• LogD (pH = 7.4): 4.757787
• Log P: 4.7771754
• Molar Refractivity: 105.3706 cm^3
• Polarizability: 40.983986 Å^3
• Polar Surface Area: 43.85 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 4.28
• LOG S: -5.4
• Polar Surface Area: 43.85 Å^2
• Rotatable Bonds: 6