5-methyl-N-[3-(4-methylbenzenesulfonamido)propyl]-1,3-oxazole-4-carboxamide

• ChemBase ID: 654407
• Molecular Formular: C15H19N3O4S
• Molecular Mass: 337.39406
• Monoisotopic Mass: 337.1096271
• SMILES: S(=O)(=O)(c1ccc(cc1)C)NCCCNC(=O)c1ncoc1C
• Canonical SMILES: Cc1ccc(cc1)S(=O)(=O)NCCCNC(=O)c1ncoc1C
• InChI: InChI=1S/C15H19N3O4S/c1-11-4-6-13(7-5-11)23(20,21)18-9-3-8-16-15(19)14-12(2)22-10-17-14/h4-7,10,18H,3,8-9H2,1-2H3,(H,16,19)
• InChIKey: NSKXWOVBXJLCKP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-N-[3-(4-methylbenzenesulfonamido)propyl]-1,3-oxazole-4-carboxamide
• IUPAC Traditional name: 5-methyl-N-[3-(4-methylbenzenesulfonamido)propyl]-1,3-oxazole-4-carboxamide
• Synonyms: 5-methyl-N-(3-{[(4-methylphenyl)sulfonyl]amino}propyl)-1,3-oxazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.403848
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.7796692
• LogD (pH = 7.4): 0.7792929
• Log P: 0.77967405
• Molar Refractivity: 86.5704 cm^3
• Polarizability: 33.160645 Å^3
• Polar Surface Area: 101.3 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: 0.96
• LOG S: -2.48
• Polar Surface Area: 101.3 Å^2
• Rotatable Bonds: 6