1-(5-ethyl-1,2-oxazole-3-carbonyl)-4-(pyrrolidine-1-carbonyl)piperidine

• ChemBase ID: 402355
• Molecular Formular: C16H23N3O3
• Molecular Mass: 305.37212
• Monoisotopic Mass: 305.17394161
• SMILES: c1(noc(c1)CC)C(=O)N1CCC(C(=O)N2CCCC2)CC1
• Canonical SMILES: CCc1onc(c1)C(=O)N1CCC(CC1)C(=O)N1CCCC1
• InChI: InChI=1S/C16H23N3O3/c1-2-13-11-14(17-22-13)16(21)19-9-5-12(6-10-19)15(20)18-7-3-4-8-18/h11-12H,2-10H2,1H3
• InChIKey: BDGJITSLTOEAFE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(5-ethyl-1,2-oxazole-3-carbonyl)-4-(pyrrolidine-1-carbonyl)piperidine
• IUPAC Traditional name: 1-(5-ethyl-1,2-oxazole-3-carbonyl)-4-(pyrrolidine-1-carbonyl)piperidine
• Synonyms: 1-[(5-ethyl-3-isoxazolyl)carbonyl]-4-(1-pyrrolidinylcarbonyl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.8630349
• LogD (pH = 7.4): 0.8630353
• Log P: 0.8630353
• Molar Refractivity: 83.212 cm^3
• Polarizability: 30.988008 Å^3
• Polar Surface Area: 66.65 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -0.27
• LOG S: -2.51
• Polar Surface Area: 66.65 Å^2
• Rotatable Bonds: 3