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

• ChemBase ID: 376170
• Molecular Formular: C25H31N3O2
• Molecular Mass: 405.53254
• Monoisotopic Mass: 405.24162725
• SMILES: n1c(c(oc1c1cc2c(cc1)cccc2)C)CN1CC(C(=O)N(CC)CC)CCC1
• Canonical SMILES: CCN(C(=O)C1CCCN(C1)Cc1nc(oc1C)c1ccc2c(c1)cccc2)CC
• InChI: InChI=1S/C25H31N3O2/c1-4-28(5-2)25(29)22-11-8-14-27(16-22)17-23-18(3)30-24(26-23)21-13-12-19-9-6-7-10-20(19)15-21/h6-7,9-10,12-13,15,22H,4-5,8,11,14,16-17H2,1-3H3
• InChIKey: NDLQZMOWIZDLMQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.2327896
• LogD (pH = 7.4): 3.0005598
• Log P: 3.7348578
• Molar Refractivity: 130.8301 cm^3
• Polarizability: 48.161694 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: 4.46
• LOG S: -3.94
• Polar Surface Area: 49.58 Å^2
• Rotatable Bonds: 4