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

• ChemBase ID: 433252
• Molecular Formular: C20H23N3O3
• Molecular Mass: 353.41492
• Monoisotopic Mass: 353.17394161
• SMILES: n1nc(oc1CCC(=O)N(Cc1occc1)C)CCCc1ccccc1
• Canonical SMILES: O=C(N(Cc1ccco1)C)CCc1nnc(o1)CCCc1ccccc1
• InChI: InChI=1S/C20H23N3O3/c1-23(15-17-10-6-14-25-17)20(24)13-12-19-22-21-18(26-19)11-5-9-16-7-3-2-4-8-16/h2-4,6-8,10,14H,5,9,11-13,15H2,1H3
• InChIKey: LUOTVQRLGFDRMS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.1742842
• LogD (pH = 7.4): 2.1742842
• Log P: 2.1742842
• Molar Refractivity: 99.3013 cm^3
• Polarizability: 37.28541 Å^3
• Polar Surface Area: 72.37 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.06
• LOG S: -4.23
• Polar Surface Area: 72.37 Å^2
• Rotatable Bonds: 9