N,N-diethyl-1-{[5-methyl-2-(thiophen-3-yl)-1,3-oxazol-4-yl]methyl}piperidine-3-carboxamide

• ChemBase ID: 699375
• Molecular Formular: C19H27N3O2S
• Molecular Mass: 361.50158
• Monoisotopic Mass: 361.18239812
• SMILES: c1(nc(c(o1)C)CN1CC(C(=O)N(CC)CC)CCC1)c1cscc1
• Canonical SMILES: CCN(C(=O)C1CCCN(C1)Cc1nc(oc1C)c1cscc1)CC
• InChI: InChI=1S/C19H27N3O2S/c1-4-22(5-2)19(23)15-7-6-9-21(11-15)12-17-14(3)24-18(20-17)16-8-10-25-13-16/h8,10,13,15H,4-7,9,11-12H2,1-3H3
• InChIKey: ZAKZUQSUUSXCDP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-diethyl-1-{[5-methyl-2-(thiophen-3-yl)-1,3-oxazol-4-yl]methyl}piperidine-3-carboxamide
• IUPAC Traditional name: N,N-diethyl-1-{[5-methyl-2-(thiophen-3-yl)-1,3-oxazol-4-yl]methyl}piperidine-3-carboxamide
• Synonyms: N,N-diethyl-1-{[5-methyl-2-(3-thienyl)-1,3-oxazol-4-yl]methyl}-3-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.08872014
• LogD (pH = 7.4): 1.8491307
• Log P: 2.5258229
• Molar Refractivity: 111.4857 cm^3
• Polarizability: 39.27861 Å^3
• Polar Surface Area: 49.58 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: 3.2
• LOG S: -2.52
• Polar Surface Area: 49.58 Å^2
• Rotatable Bonds: 4