N-[(1-methyl-1H-pyrazol-4-yl)methyl]-5-{[(6-methylpyridin-3-yl)oxy]methyl}-N-(propan-2-yl)-1,2-oxazole-3-carboxamide

• ChemBase ID: 371588
• Molecular Formular: C19H23N5O3
• Molecular Mass: 369.41762
• Monoisotopic Mass: 369.18008962
• SMILES: c1(C(=O)N(Cc2cn(nc2)C)C(C)C)noc(c1)COc1cnc(cc1)C
• Canonical SMILES: CC(N(C(=O)c1noc(c1)COc1ccc(nc1)C)Cc1cnn(c1)C)C
• InChI: InChI=1S/C19H23N5O3/c1-13(2)24(11-15-8-21-23(4)10-15)19(25)18-7-17(27-22-18)12-26-16-6-5-14(3)20-9-16/h5-10,13H,11-12H2,1-4H3
• InChIKey: VYNVMHHYXDRBCL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1-methyl-1H-pyrazol-4-yl)methyl]-5-{[(6-methylpyridin-3-yl)oxy]methyl}-N-(propan-2-yl)-1,2-oxazole-3-carboxamide
• IUPAC Traditional name: N-isopropyl-N-[(1-methylpyrazol-4-yl)methyl]-5-{[(6-methylpyridin-3-yl)oxy]methyl}-1,2-oxazole-3-carboxamide
• Synonyms: N-isopropyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-5-{[(6-methyl-3-pyridinyl)oxy]methyl}-3-isoxazolecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.1390582
• LogD (pH = 7.4): 1.3444129
• Log P: 1.3478508
• Molar Refractivity: 112.0711 cm^3
• Polarizability: 37.703354 Å^3
• Polar Surface Area: 86.28 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 1.44
• LOG S: -3.42
• Polar Surface Area: 86.28 Å^2
• Rotatable Bonds: 6