N-[3-(1H-indazol-1-yl)propyl]-3-{5-[methoxy(phenyl)methyl]-1,3,4-oxadiazol-2-yl}propanamide

• ChemBase ID: 390256
• Molecular Formular: C23H25N5O3
• Molecular Mass: 419.4763
• Monoisotopic Mass: 419.19573969
• SMILES: c1(nnc(o1)CCC(=O)NCCCn1ncc2c1cccc2)C(c1ccccc1)OC
• Canonical SMILES: COC(c1nnc(o1)CCC(=O)NCCCn1ncc2c1cccc2)c1ccccc1
• InChI: InChI=1S/C23H25N5O3/c1-30-22(17-8-3-2-4-9-17)23-27-26-21(31-23)13-12-20(29)24-14-7-15-28-19-11-6-5-10-18(19)16-25-28/h2-6,8-11,16,22H,7,12-15H2,1H3,(H,24,29)
• InChIKey: OFEZYWHJVLRYNO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(1H-indazol-1-yl)propyl]-3-{5-[methoxy(phenyl)methyl]-1,3,4-oxadiazol-2-yl}propanamide
• IUPAC Traditional name: N-[3-(indazol-1-yl)propyl]-3-{5-[methoxy(phenyl)methyl]-1,3,4-oxadiazol-2-yl}propanamide
• Synonyms: N-[3-(1H-indazol-1-yl)propyl]-3-{5-[methoxy(phenyl)methyl]-1,3,4-oxadiazol-2-yl}propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.090999
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.513124
• LogD (pH = 7.4): 1.5131375
• Log P: 1.5131376
• Molar Refractivity: 128.474 cm^3
• Polarizability: 45.5544 Å^3
• Polar Surface Area: 95.07 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: 0.35
• LOG S: -5.72
• Polar Surface Area: 95.07 Å^2
• Rotatable Bonds: 9