N-(dicyclopropylmethyl)-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]propanamide

• ChemBase ID: 559015
• Molecular Formular: C21H27N3O2
• Molecular Mass: 353.45798
• Monoisotopic Mass: 353.21032712
• SMILES: n1nc(oc1CCC(=O)NC(C1CC1)C1CC1)CCCc1ccccc1
• Canonical SMILES: O=C(NC(C1CC1)C1CC1)CCc1nnc(o1)CCCc1ccccc1
• InChI: InChI=1S/C21H27N3O2/c25-18(22-21(16-9-10-16)17-11-12-17)13-14-20-24-23-19(26-20)8-4-7-15-5-2-1-3-6-15/h1-3,5-6,16-17,21H,4,7-14H2,(H,22,25)
• InChIKey: SRLXZKQBCMCCFO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(dicyclopropylmethyl)-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]propanamide
• IUPAC Traditional name: N-(dicyclopropylmethyl)-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]propanamide
• Synonyms: N-(dicyclopropylmethyl)-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]propanamide

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Polar Surface Area: 68.02 Å^2
• Rotatable Bonds: 10
• H Acceptors: 4
• H Donor: 1
• Log P: 1.56
• LOG S: -5.49

JChem

• Rotatable Bonds: 10
• Lipinski's Rule of Five: true
• Acid pKa: 15.059288
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.7868097
• LogD (pH = 7.4): 2.78681
• Log P: 2.78681
• Molar Refractivity: 100.9553 cm^3
• Polarizability: 38.567337 Å^3
• Polar Surface Area: 68.02 Å^2