5-(methoxymethyl)-N-methyl-N-(3-phenylpropyl)-1,3,4-oxadiazole-2-carboxamide

• ChemBase ID: 665378
• Molecular Formular: C15H19N3O3
• Molecular Mass: 289.32966
• Monoisotopic Mass: 289.14264148
• SMILES: c1(nnc(o1)COC)C(=O)N(CCCc1ccccc1)C
• Canonical SMILES: COCc1nnc(o1)C(=O)N(CCCc1ccccc1)C
• InChI: InChI=1S/C15H19N3O3/c1-18(10-6-9-12-7-4-3-5-8-12)15(19)14-17-16-13(21-14)11-20-2/h3-5,7-8H,6,9-11H2,1-2H3
• InChIKey: FVBUMXZGDOBUJF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(methoxymethyl)-N-methyl-N-(3-phenylpropyl)-1,3,4-oxadiazole-2-carboxamide
• IUPAC Traditional name: 5-(methoxymethyl)-N-methyl-N-(3-phenylpropyl)-1,3,4-oxadiazole-2-carboxamide
• Synonyms: 5-(methoxymethyl)-N-methyl-N-(3-phenylpropyl)-1,3,4-oxadiazole-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.036869
• LogD (pH = 7.4): 1.036869
• Log P: 1.036869
• Molar Refractivity: 80.1953 cm^3
• Polarizability: 29.65063 Å^3
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.64
• LOG S: -2.71
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 7