N-[3-(3-hydroxypiperidin-1-yl)propyl]-3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide

• ChemBase ID: 319650
• Molecular Formular: C18H26N4O3S
• Molecular Mass: 378.48904
• Monoisotopic Mass: 378.17256171
• SMILES: c1(nnc(o1)CCC(=O)NCCCN1CC(O)CCC1)c1sc(cc1)C
• Canonical SMILES: OC1CCCN(C1)CCCNC(=O)CCc1nnc(o1)c1ccc(s1)C
• InChI: InChI=1S/C18H26N4O3S/c1-13-5-6-15(26-13)18-21-20-17(25-18)8-7-16(24)19-9-3-11-22-10-2-4-14(23)12-22/h5-6,14,23H,2-4,7-12H2,1H3,(H,19,24)
• InChIKey: BMHHOVBWYXIWPS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(3-hydroxypiperidin-1-yl)propyl]-3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide
• IUPAC Traditional name: N-[3-(3-hydroxypiperidin-1-yl)propyl]-3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide
• Synonyms: N-[3-(3-hydroxy-1-piperidinyl)propyl]-3-[5-(5-methyl-2-thienyl)-1,3,4-oxadiazol-2-yl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.751232
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -2.4435003
• LogD (pH = 7.4): -0.7562589
• Log P: 0.62119234
• Molar Refractivity: 112.4723 cm^3
• Polarizability: 39.078747 Å^3
• Polar Surface Area: 91.49 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 2
• Log P: 0.59
• LOG S: -3.53
• Polar Surface Area: 91.49 Å^2
• Rotatable Bonds: 8