N-[1-benzyl-6-(propan-2-yloxy)-1H-indazol-3-yl]-1,3-oxazole-4-carboxamide

• ChemBase ID: 676168
• Molecular Formular: C21H20N4O3
• Molecular Mass: 376.4085
• Monoisotopic Mass: 376.15354052
• SMILES: c1(nn(c2c1ccc(c2)OC(C)C)Cc1ccccc1)NC(=O)c1ncoc1
• Canonical SMILES: CC(Oc1ccc2c(c1)n(Cc1ccccc1)nc2NC(=O)c1cocn1)C
• InChI: InChI=1S/C21H20N4O3/c1-14(2)28-16-8-9-17-19(10-16)25(11-15-6-4-3-5-7-15)24-20(17)23-21(26)18-12-27-13-22-18/h3-10,12-14H,11H2,1-2H3,(H,23,24,26)
• InChIKey: DQUHWGULWKTFNS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-benzyl-6-(propan-2-yloxy)-1H-indazol-3-yl]-1,3-oxazole-4-carboxamide
• IUPAC Traditional name: N-(1-benzyl-6-isopropoxyindazol-3-yl)-1,3-oxazole-4-carboxamide
• Synonyms: N-(1-benzyl-6-isopropoxy-1H-indazol-3-yl)-1,3-oxazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.019872
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.7742386
• LogD (pH = 7.4): 3.7732637
• Log P: 3.7742527
• Molar Refractivity: 117.7167 cm^3
• Polarizability: 40.79165 Å^3
• Polar Surface Area: 82.18 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 3.41
• LOG S: -4.86
• Polar Surface Area: 82.18 Å^2
• Rotatable Bonds: 6