N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]propanamide

• ChemBase ID: 654031
• Molecular Formular: C21H27N5O2
• Molecular Mass: 381.47138
• Monoisotopic Mass: 381.21647513
• SMILES: n1[nH]c(c(c1C)CCNC(=O)CCc1nnc(o1)CCCc1ccccc1)C
• Canonical SMILES: O=C(CCc1nnc(o1)CCCc1ccccc1)NCCc1c(C)n[nH]c1C
• InChI: InChI=1S/C21H27N5O2/c1-15-18(16(2)24-23-15)13-14-22-19(27)11-12-21-26-25-20(28-21)10-6-9-17-7-4-3-5-8-17/h3-5,7-8H,6,9-14H2,1-2H3,(H,22,27)(H,23,24)
• InChIKey: FRNSXGBCQYVMFI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]propanamide
• IUPAC Traditional name: N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]propanamide
• Synonyms: N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.798974
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.8107449
• LogD (pH = 7.4): 1.8140953
• Log P: 1.8141382
• Molar Refractivity: 110.1973 cm^3
• Polarizability: 40.75093 Å^3
• Polar Surface Area: 96.7 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 0.24
• LOG S: -5.71
• Polar Surface Area: 96.7 Å^2
• Rotatable Bonds: 10