3-ethyl-5-[1-({6-methylimidazo[1,2-a]pyridin-2-yl}methyl)-1H-imidazol-2-yl]-1,2-oxazole

• ChemBase ID: 552525
• Molecular Formular: C17H17N5O
• Molecular Mass: 307.34978
• Monoisotopic Mass: 307.14331019
• SMILES: c1(c2n(Cc3nc4n(c3)cc(cc4)C)ccn2)onc(c1)CC
• Canonical SMILES: CCc1noc(c1)c1nccn1Cc1cn2c(n1)ccc(c2)C
• InChI: InChI=1S/C17H17N5O/c1-3-13-8-15(23-20-13)17-18-6-7-21(17)10-14-11-22-9-12(2)4-5-16(22)19-14/h4-9,11H,3,10H2,1-2H3
• InChIKey: QUDOGTQTGOYWPG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethyl-5-[1-({6-methylimidazo[1,2-a]pyridin-2-yl}methyl)-1H-imidazol-2-yl]-1,2-oxazole
• IUPAC Traditional name: 3-ethyl-5-[1-({6-methylimidazo[1,2-a]pyridin-2-yl}methyl)imidazol-2-yl]-1,2-oxazole
• Synonyms: 2-{[2-(3-ethylisoxazol-5-yl)-1H-imidazol-1-yl]methyl}-6-methylimidazo[1,2-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.5084819
• LogD (pH = 7.4): 2.2939432
• Log P: 2.3253446
• Molar Refractivity: 98.559 cm^3
• Polarizability: 33.08914 Å^3
• Polar Surface Area: 61.15 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.52
• LOG S: -2.74
• Polar Surface Area: 61.15 Å^2
• Rotatable Bonds: 4