N-{imidazo[1,2-a]pyrimidin-2-ylmethyl}-5-propyl-1,2-oxazole-3-carboxamide

• ChemBase ID: 739227
• Molecular Formular: C14H15N5O2
• Molecular Mass: 285.3012
• Monoisotopic Mass: 285.12257475
• SMILES: c12nc(cn1cccn2)CNC(=O)c1noc(c1)CCC
• Canonical SMILES: CCCc1onc(c1)C(=O)NCc1cn2c(n1)nccc2
• InChI: InChI=1S/C14H15N5O2/c1-2-4-11-7-12(18-21-11)13(20)16-8-10-9-19-6-3-5-15-14(19)17-10/h3,5-7,9H,2,4,8H2,1H3,(H,16,20)
• InChIKey: VQSVTVLEGDBHHH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{imidazo[1,2-a]pyrimidin-2-ylmethyl}-5-propyl-1,2-oxazole-3-carboxamide
• IUPAC Traditional name: N-{imidazo[1,2-a]pyrimidin-2-ylmethyl}-5-propyl-1,2-oxazole-3-carboxamide
• Synonyms: N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-5-propyl-3-isoxazolecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.230517
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.60342824
• LogD (pH = 7.4): 0.60458386
• Log P: 0.60460436
• Molar Refractivity: 78.1998 cm^3
• Polarizability: 28.1766 Å^3
• Polar Surface Area: 85.32 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.52
• LOG S: -1.73
• Polar Surface Area: 85.32 Å^2
• Rotatable Bonds: 5