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

• ChemBase ID: 759002
• Molecular Formular: C19H22N2O2
• Molecular Mass: 310.39018
• Monoisotopic Mass: 310.16812795
• SMILES: c1(C(=O)N2CC(c3c(C)cccc3)CCC2)c(C2CC2)ocn1
• Canonical SMILES: Cc1ccccc1C1CCCN(C1)C(=O)c1ncoc1C1CC1
• InChI: InChI=1S/C19H22N2O2/c1-13-5-2-3-7-16(13)15-6-4-10-21(11-15)19(22)17-18(14-8-9-14)23-12-20-17/h2-3,5,7,12,14-15H,4,6,8-11H2,1H3
• InChIKey: ORRKUKKHNSHJOG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.0848749
• LogD (pH = 7.4): 3.0848749
• Log P: 3.0848749
• Molar Refractivity: 89.3601 cm^3
• Polarizability: 33.70455 Å^3
• Polar Surface Area: 46.34 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.41
• LOG S: -3.52
• Polar Surface Area: 46.34 Å^2
• Rotatable Bonds: 3