N-{imidazo[1,2-a]pyridin-3-ylmethyl}-N-methyl-5-propyl-1,3,4-oxadiazole-2-carboxamide

• ChemBase ID: 862935
• Molecular Formular: C15H17N5O2
• Molecular Mass: 299.32778
• Monoisotopic Mass: 299.13822481
• SMILES: c1(nnc(o1)CCC)C(=O)N(Cc1n2c(nc1)cccc2)C
• Canonical SMILES: CCCc1nnc(o1)C(=O)N(Cc1cnc2n1cccc2)C
• InChI: InChI=1S/C15H17N5O2/c1-3-6-13-17-18-14(22-13)15(21)19(2)10-11-9-16-12-7-4-5-8-20(11)12/h4-5,7-9H,3,6,10H2,1-2H3
• InChIKey: DDMZPNJMPWPNHB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{imidazo[1,2-a]pyridin-3-ylmethyl}-N-methyl-5-propyl-1,3,4-oxadiazole-2-carboxamide
• IUPAC Traditional name: N-{imidazo[1,2-a]pyridin-3-ylmethyl}-N-methyl-5-propyl-1,3,4-oxadiazole-2-carboxamide
• Synonyms: N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-methyl-5-propyl-1,3,4-oxadiazole-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.3095472
• LogD (pH = 7.4): 0.3035774
• Log P: 0.32916996
• Molar Refractivity: 83.3697 cm^3
• Polarizability: 30.014585 Å^3
• Polar Surface Area: 76.53 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.14
• LOG S: -2.36
• Polar Surface Area: 76.53 Å^2
• Rotatable Bonds: 5