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

• ChemBase ID: 649762
• Molecular Formular: C21H27N5O2
• Molecular Mass: 381.47138
• Monoisotopic Mass: 381.21647513
• SMILES: n1(nc(cc1C)C)CC(NC(=O)CCc1nnc(o1)CCc1ccccc1)C
• Canonical SMILES: CC(Cn1nc(cc1C)C)NC(=O)CCc1nnc(o1)CCc1ccccc1
• InChI: InChI=1S/C21H27N5O2/c1-15-13-17(3)26(25-15)14-16(2)22-19(27)10-12-21-24-23-20(28-21)11-9-18-7-5-4-6-8-18/h4-8,13,16H,9-12,14H2,1-3H3,(H,22,27)
• InChIKey: KGPWBABTFHHXHZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.895835
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.6954451
• LogD (pH = 7.4): 1.6983697
• Log P: 1.6984072
• Molar Refractivity: 119.9525 cm^3
• Polarizability: 40.751404 Å^3
• Polar Surface Area: 85.84 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 0.73
• LOG S: -5.65
• Polar Surface Area: 85.84 Å^2
• Rotatable Bonds: 9