2-cyclopropyl-6-[4-(2-phenylethyl)piperidine-1-carbonyl]-1,3-benzoxazole

• ChemBase ID: 480964
• Molecular Formular: C24H26N2O2
• Molecular Mass: 374.47544
• Monoisotopic Mass: 374.19942808
• SMILES: c1(nc2c(o1)cc(C(=O)N1CCC(CC1)CCc1ccccc1)cc2)C1CC1
• Canonical SMILES: O=C(c1ccc2c(c1)oc(n2)C1CC1)N1CCC(CC1)CCc1ccccc1
• InChI: InChI=1S/C24H26N2O2/c27-24(20-10-11-21-22(16-20)28-23(25-21)19-8-9-19)26-14-12-18(13-15-26)7-6-17-4-2-1-3-5-17/h1-5,10-11,16,18-19H,6-9,12-15H2
• InChIKey: PDFWXLNLWWWUGD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopropyl-6-[4-(2-phenylethyl)piperidine-1-carbonyl]-1,3-benzoxazole
• IUPAC Traditional name: 2-cyclopropyl-6-[4-(2-phenylethyl)piperidine-1-carbonyl]-1,3-benzoxazole
• Synonyms: 2-cyclopropyl-6-{[4-(2-phenylethyl)-1-piperidinyl]carbonyl}-1,3-benzoxazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.681042
• LogD (pH = 7.4): 4.681045
• Log P: 4.6810455
• Molar Refractivity: 109.4224 cm^3
• Polarizability: 43.07303 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: 4.55
• LOG S: -6.27
• Polar Surface Area: 46.34 Å^2
• Rotatable Bonds: 5