5-[2-(2-methoxyphenyl)pyrrolidine-1-carbonyl]-3-(2-phenylethyl)-1,2-oxazole

• ChemBase ID: 482383
• Molecular Formular: C23H24N2O3
• Molecular Mass: 376.44826
• Monoisotopic Mass: 376.17869264
• SMILES: c1(C(=O)N2C(c3c(OC)cccc3)CCC2)onc(c1)CCc1ccccc1
• Canonical SMILES: COc1ccccc1C1CCCN1C(=O)c1onc(c1)CCc1ccccc1
• InChI: InChI=1S/C23H24N2O3/c1-27-21-12-6-5-10-19(21)20-11-7-15-25(20)23(26)22-16-18(24-28-22)14-13-17-8-3-2-4-9-17/h2-6,8-10,12,16,20H,7,11,13-15H2,1H3
• InChIKey: IVFCYQQGZDKKRH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[2-(2-methoxyphenyl)pyrrolidine-1-carbonyl]-3-(2-phenylethyl)-1,2-oxazole
• IUPAC Traditional name: 5-[2-(2-methoxyphenyl)pyrrolidine-1-carbonyl]-3-(2-phenylethyl)-1,2-oxazole
• Synonyms: 5-{[2-(2-methoxyphenyl)-1-pyrrolidinyl]carbonyl}-3-(2-phenylethyl)isoxazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.998429
• LogD (pH = 7.4): 3.9984298
• Log P: 3.9984298
• Molar Refractivity: 108.4507 cm^3
• Polarizability: 41.01834 Å^3
• Polar Surface Area: 55.57 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 4.05
• LOG S: -5.92
• Polar Surface Area: 55.57 Å^2
• Rotatable Bonds: 5