N-(but-2-yn-1-yl)-N-(furan-2-ylmethyl)-3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide

• ChemBase ID: 314767
• Molecular Formular: C19H19N3O3S
• Molecular Mass: 369.43746
• Monoisotopic Mass: 369.11471248
• SMILES: c1(nnc(o1)CCC(=O)N(Cc1occc1)CC#CC)c1sc(cc1)C
• Canonical SMILES: CC#CCN(C(=O)CCc1nnc(o1)c1ccc(s1)C)Cc1ccco1
• InChI: InChI=1S/C19H19N3O3S/c1-3-4-11-22(13-15-6-5-12-24-15)18(23)10-9-17-20-21-19(25-17)16-8-7-14(2)26-16/h5-8,12H,9-11,13H2,1-2H3
• InChIKey: WOYJHIUNAAKBEI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.8400345
• LogD (pH = 7.4): 2.8400345
• Log P: 2.8400345
• Molar Refractivity: 111.0655 cm^3
• Polarizability: 37.494026 Å^3
• Polar Surface Area: 72.37 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.19
• LOG S: -4.37
• Polar Surface Area: 72.37 Å^2
• Rotatable Bonds: 8