N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-1-yl)acetamide

• ChemBase ID: 643511
• Molecular Formular: C18H21N5O3
• Molecular Mass: 355.39104
• Monoisotopic Mass: 355.16443956
• SMILES: n1(c(=O)[nH]c2c1cccc2)CC(=O)N(Cc1nc(on1)C1CCCC1)C
• Canonical SMILES: O=C(N(Cc1noc(n1)C1CCCC1)C)Cn1c(=O)[nH]c2c1cccc2
• InChI: InChI=1S/C18H21N5O3/c1-22(10-15-20-17(26-21-15)12-6-2-3-7-12)16(24)11-23-14-9-5-4-8-13(14)19-18(23)25/h4-5,8-9,12H,2-3,6-7,10-11H2,1H3,(H,19,25)
• InChIKey: NOODSNQJFKSOLY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-1-yl)acetamide
• IUPAC Traditional name: N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(2-oxo-3H-1,3-benzodiazol-1-yl)acetamide
• Synonyms: N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.8728
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.532963
• LogD (pH = 7.4): 2.5329616
• Log P: 2.532963
• Molar Refractivity: 96.5922 cm^3
• Polarizability: 35.5077 Å^3
• Polar Surface Area: 91.57 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.52
• LOG S: -3.09
• Polar Surface Area: 97.02 Å^2
• Rotatable Bonds: 5