N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-3-fluoroimidazo[1,2-a]pyridine-2-carboxamide

• ChemBase ID: 424901
• Molecular Formular: C14H15FN4O2
• Molecular Mass: 290.2929032
• Monoisotopic Mass: 290.11790396
• SMILES: c1(c(n2c(n1)cccc2)F)C(=O)NCC1ON=C(C1)CC
• Canonical SMILES: CCC1=NOC(C1)CNC(=O)c1nc2n(c1F)cccc2
• InChI: InChI=1S/C14H15FN4O2/c1-2-9-7-10(21-18-9)8-16-14(20)12-13(15)19-6-4-3-5-11(19)17-12/h3-6,10H,2,7-8H2,1H3,(H,16,20)
• InChIKey: CEIIVRCIVQYOLR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-3-fluoroimidazo[1,2-a]pyridine-2-carboxamide
• IUPAC Traditional name: N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-3-fluoroimidazo[1,2-a]pyridine-2-carboxamide
• Synonyms: N-[(3-ethyl-4,5-dihydroisoxazol-5-yl)methyl]-3-fluoroimidazo[1,2-a]pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.556181
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.2702118
• LogD (pH = 7.4): 1.2719725
• Log P: 1.2720222
• Molar Refractivity: 74.6776 cm^3
• Polarizability: 27.63629 Å^3
• Polar Surface Area: 67.99 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.6
• LOG S: -2.68
• Polar Surface Area: 67.99 Å^2
• Rotatable Bonds: 4