1-(5-cyclopropyl-1,3-oxazole-4-carbonyl)-4-(2-phenylethyl)piperidine

• ChemBase ID: 624665
• Molecular Formular: C20H24N2O2
• Molecular Mass: 324.41676
• Monoisotopic Mass: 324.18377802
• SMILES: c1(C(=O)N2CCC(CC2)CCc2ccccc2)c(C2CC2)ocn1
• Canonical SMILES: O=C(c1ncoc1C1CC1)N1CCC(CC1)CCc1ccccc1
• InChI: InChI=1S/C20H24N2O2/c23-20(18-19(17-8-9-17)24-14-21-18)22-12-10-16(11-13-22)7-6-15-4-2-1-3-5-15/h1-5,14,16-17H,6-13H2
• InChIKey: QFJILCAJBVTEGY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(5-cyclopropyl-1,3-oxazole-4-carbonyl)-4-(2-phenylethyl)piperidine
• IUPAC Traditional name: 1-(5-cyclopropyl-1,3-oxazole-4-carbonyl)-4-(2-phenylethyl)piperidine
• Synonyms: 1-[(5-cyclopropyl-1,3-oxazol-4-yl)carbonyl]-4-(2-phenylethyl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.382637
• LogD (pH = 7.4): 3.382637
• Log P: 3.382637
• Molar Refractivity: 93.5979 cm^3
• Polarizability: 35.546955 Å^3
• Polar Surface Area: 46.34 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.81
• LOG S: -3.97
• Polar Surface Area: 46.34 Å^2
• Rotatable Bonds: 5