N-ethyl-N-[(2E)-3-phenylprop-2-en-1-yl]-4-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]butanamide

• ChemBase ID: 592697
• Molecular Formular: C22H24N4O2
• Molecular Mass: 376.45156
• Monoisotopic Mass: 376.18992603
• SMILES: n1c(noc1CCCC(=O)N(C/C=C/c1ccccc1)CC)c1ccncc1
• Canonical SMILES: CCN(C(=O)CCCc1onc(n1)c1ccncc1)C/C=C/c1ccccc1
• InChI: InChI=1S/C22H24N4O2/c1-2-26(17-7-10-18-8-4-3-5-9-18)21(27)12-6-11-20-24-22(25-28-20)19-13-15-23-16-14-19/h3-5,7-10,13-16H,2,6,11-12,17H2,1H3/b10-7+
• InChIKey: UHFPWWUSKHAVFZ-JXMROGBWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-N-[(2E)-3-phenylprop-2-en-1-yl]-4-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]butanamide
• IUPAC Traditional name: N-ethyl-N-[(2E)-3-phenylprop-2-en-1-yl]-4-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]butanamide
• Synonyms: N-ethyl-N-[(2E)-3-phenylprop-2-en-1-yl]-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butanamide

CALCULATED PROPERTIES

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.39
• LOG S: -3.99
• Polar Surface Area: 72.12 Å^2
• Rotatable Bonds: 9

JChem

• H Donor: 0
• LogD (pH = 5.5): 3.800457
• LogD (pH = 7.4): 3.8010066
• Log P: 3.8010135
• Molar Refractivity: 121.1587 cm^3
• Polarizability: 42.030506 Å^3
• Polar Surface Area: 72.12 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true
• H Acceptors: 4