N-benzyl-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-sulfonamide

• ChemBase ID: 523327
• Molecular Formular: C15H19N3O3S
• Molecular Mass: 321.39466
• Monoisotopic Mass: 321.11471248
• SMILES: S(=O)(=O)(N1C(c2onc(c2)C)CCC1)NCc1ccccc1
• Canonical SMILES: Cc1noc(c1)C1CCCN1S(=O)(=O)NCc1ccccc1
• InChI: InChI=1S/C15H19N3O3S/c1-12-10-15(21-17-12)14-8-5-9-18(14)22(19,20)16-11-13-6-3-2-4-7-13/h2-4,6-7,10,14,16H,5,8-9,11H2,1H3
• InChIKey: LORZGFNFFIPUEX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-sulfonamide
• IUPAC Traditional name: N-benzyl-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-sulfonamide
• Synonyms: N-benzyl-2-(3-methylisoxazol-5-yl)pyrrolidine-1-sulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.4912405
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.0101436
• LogD (pH = 7.4): 1.00984
• Log P: 1.0101517
• Molar Refractivity: 83.8791 cm^3
• Polarizability: 33.006393 Å^3
• Polar Surface Area: 75.44 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.7
• LOG S: -2.14
• Polar Surface Area: 75.44 Å^2
• Rotatable Bonds: 3