5-[(dimethylamino)methyl]-N-methyl-N-[2-(pyridin-2-yl)ethyl]-1,3,4-oxadiazole-2-carboxamide

• ChemBase ID: 461408
• Molecular Formular: C14H19N5O2
• Molecular Mass: 289.33296
• Monoisotopic Mass: 289.15387487
• SMILES: c1(nnc(o1)CN(C)C)C(=O)N(CCc1ncccc1)C
• Canonical SMILES: CN(Cc1nnc(o1)C(=O)N(CCc1ccccn1)C)C
• InChI: InChI=1S/C14H19N5O2/c1-18(2)10-12-16-17-13(21-12)14(20)19(3)9-7-11-6-4-5-8-15-11/h4-6,8H,7,9-10H2,1-3H3
• InChIKey: WTDOATGPBJQWAI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[(dimethylamino)methyl]-N-methyl-N-[2-(pyridin-2-yl)ethyl]-1,3,4-oxadiazole-2-carboxamide
• IUPAC Traditional name: 5-[(dimethylamino)methyl]-N-methyl-N-[2-(pyridin-2-yl)ethyl]-1,3,4-oxadiazole-2-carboxamide
• Synonyms: 5-[(dimethylamino)methyl]-N-methyl-N-(2-pyridin-2-ylethyl)-1,3,4-oxadiazole-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -1.3141284
• LogD (pH = 7.4): -0.5544687
• Log P: -0.5299286
• Molar Refractivity: 79.8352 cm^3
• Polarizability: 29.589043 Å^3
• Polar Surface Area: 75.36 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: -0.14
• LOG S: -1.2
• Polar Surface Area: 75.36 Å^2
• Rotatable Bonds: 6