N-[5-({ethyl[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]carbamoyl}amino)-2-methoxyphenyl]acetamide

• ChemBase ID: 439485
• Molecular Formular: C17H23N5O4
• Molecular Mass: 361.39562
• Monoisotopic Mass: 361.17500424
• SMILES: n1c(onc1CC)CN(C(=O)Nc1cc(NC(=O)C)c(cc1)OC)CC
• Canonical SMILES: CCN(C(=O)Nc1ccc(c(c1)NC(=O)C)OC)Cc1onc(n1)CC
• InChI: InChI=1S/C17H23N5O4/c1-5-15-20-16(26-21-15)10-22(6-2)17(24)19-12-7-8-14(25-4)13(9-12)18-11(3)23/h7-9H,5-6,10H2,1-4H3,(H,18,23)(H,19,24)
• InChIKey: ARIWQGZKNFXXTR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[5-({ethyl[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]carbamoyl}amino)-2-methoxyphenyl]acetamide
• IUPAC Traditional name: N-[5-({ethyl[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]carbamoyl}amino)-2-methoxyphenyl]acetamide
• Synonyms: N-{5-[({ethyl[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]amino}carbonyl)amino]-2-methoxyphenyl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.408234
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.86144
• LogD (pH = 7.4): 1.8614359
• Log P: 1.8614401
• Molar Refractivity: 99.2729 cm^3
• Polarizability: 35.82436 Å^3
• Polar Surface Area: 109.59 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 2
• Log P: 0.98
• LOG S: -2.67
• Polar Surface Area: 109.59 Å^2
• Rotatable Bonds: 7