5-cyclopropyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-oxazole-4-carboxamide

• ChemBase ID: 743391
• Molecular Formular: C15H17N3O4S
• Molecular Mass: 335.37818
• Monoisotopic Mass: 335.09397704
• SMILES: c1(c(C2CC2)ocn1)C(=O)NCCc1ccc(S(=O)(=O)N)cc1
• Canonical SMILES: O=C(c1ncoc1C1CC1)NCCc1ccc(cc1)S(=O)(=O)N
• InChI: InChI=1S/C15H17N3O4S/c16-23(20,21)12-5-1-10(2-6-12)7-8-17-15(19)13-14(11-3-4-11)22-9-18-13/h1-2,5-6,9,11H,3-4,7-8H2,(H,17,19)(H2,16,20,21)
• InChIKey: DWVXBPMKLGCKAT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-cyclopropyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-oxazole-4-carboxamide
• IUPAC Traditional name: 5-cyclopropyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-oxazole-4-carboxamide
• Synonyms: N-{2-[4-(aminosulfonyl)phenyl]ethyl}-5-cyclopropyl-1,3-oxazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.2237625
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.6177923
• LogD (pH = 7.4): 0.6172227
• Log P: 0.61779964
• Molar Refractivity: 84.2391 cm^3
• Polarizability: 32.518967 Å^3
• Polar Surface Area: 115.29 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: -0.06
• LOG S: -2.9
• Polar Surface Area: 115.29 Å^2
• Rotatable Bonds: 6