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

• ChemBase ID: 350500
• Molecular Formular: C20H25N5O2
• Molecular Mass: 367.4448
• Monoisotopic Mass: 367.20082507
• SMILES: n1nc(oc1CCc1ccccc1)CCC(=O)NC(CCn1nccc1)C
• Canonical SMILES: CC(NC(=O)CCc1nnc(o1)CCc1ccccc1)CCn1cccn1
• InChI: InChI=1S/C20H25N5O2/c1-16(12-15-25-14-5-13-21-25)22-18(26)9-11-20-24-23-19(27-20)10-8-17-6-3-2-4-7-17/h2-7,13-14,16H,8-12,15H2,1H3,(H,22,26)
• InChIKey: NHIQKKNRKYPURY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]-N-[4-(1H-pyrazol-1-yl)butan-2-yl]propanamide
• IUPAC Traditional name: 3-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]-N-[4-(pyrazol-1-yl)butan-2-yl]propanamide
• Synonyms: N-[1-methyl-3-(1H-pyrazol-1-yl)propyl]-3-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.881131
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.4272991
• LogD (pH = 7.4): 1.4274336
• Log P: 1.4274354
• Molar Refractivity: 115.0767 cm^3
• Polarizability: 39.07018 Å^3
• Polar Surface Area: 85.84 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 0.37
• LOG S: -5.13
• Polar Surface Area: 85.84 Å^2
• Rotatable Bonds: 10