N-[3-(dimethyl-1,2-oxazol-4-yl)propyl]-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-4-carboxamide

• ChemBase ID: 550243
• Molecular Formular: C15H21N5O2
• Molecular Mass: 303.35954
• Monoisotopic Mass: 303.16952494
• SMILES: c12C(C(=O)NCCCc3c(onc3C)C)NCCc2[nH]cn1
• Canonical SMILES: O=C(C1NCCc2c1nc[nH]2)NCCCc1c(C)noc1C
• InChI: InChI=1S/C15H21N5O2/c1-9-11(10(2)22-20-9)4-3-6-17-15(21)14-13-12(5-7-16-14)18-8-19-13/h8,14,16H,3-7H2,1-2H3,(H,17,21)(H,18,19)
• InChIKey: YDRAZMGGNCIZKM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(dimethyl-1,2-oxazol-4-yl)propyl]-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-4-carboxamide
• IUPAC Traditional name: N-[3-(dimethyl-1,2-oxazol-4-yl)propyl]-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-4-carboxamide
• Synonyms: N-[3-(3,5-dimethyl-4-isoxazolyl)propyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide

CALCULATED PROPERTIES

JChem

• Log P: -0.20998396
• Molar Refractivity: 82.8869 cm^3
• Polarizability: 31.099974 Å^3
• Polar Surface Area: 95.84 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• Acid pKa: 12.882318
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -1.4494914
• LogD (pH = 7.4): -0.30997622

供应商提供(Chembridge)

• Log P: -1.05
• LOG S: -1.83
• Polar Surface Area: 95.84 Å^2
• Rotatable Bonds: 5
• H Acceptors: 5
• H Donor: 3