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

• ChemBase ID: 506290
• Molecular Formular: C24H27N5O3
• Molecular Mass: 433.50288
• Monoisotopic Mass: 433.21138975
• SMILES: n1n(c2c(c1)cccc2)CCCNC(=O)CCc1nnc(o1)CCc1c(OC)cccc1
• Canonical SMILES: COc1ccccc1CCc1nnc(o1)CCC(=O)NCCCn1ncc2c1cccc2
• InChI: InChI=1S/C24H27N5O3/c1-31-21-10-5-3-7-18(21)11-13-23-27-28-24(32-23)14-12-22(30)25-15-6-16-29-20-9-4-2-8-19(20)17-26-29/h2-5,7-10,17H,6,11-16H2,1H3,(H,25,30)
• InChIKey: UHBCXMLFFRKTHG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.070512
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.8720533
• LogD (pH = 7.4): 1.8720667
• Log P: 1.872067
• Molar Refractivity: 133.4488 cm^3
• Polarizability: 47.23565 Å^3
• Polar Surface Area: 95.07 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: 1.36
• LOG S: -6.23
• Polar Surface Area: 95.07 Å^2
• Rotatable Bonds: 10