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

• ChemBase ID: 558321
• Molecular Formular: C14H15N3O4S
• Molecular Mass: 321.3516
• Monoisotopic Mass: 321.07832698
• SMILES: c1(c(C2CC2)ocn1)C(=O)NCc1ccc(S(=O)(=O)N)cc1
• Canonical SMILES: O=C(c1ncoc1C1CC1)NCc1ccc(cc1)S(=O)(=O)N
• InChI: InChI=1S/C14H15N3O4S/c15-22(19,20)11-5-1-9(2-6-11)7-16-14(18)12-13(10-3-4-10)21-8-17-12/h1-2,5-6,8,10H,3-4,7H2,(H,16,18)(H2,15,19,20)
• InChIKey: NRXLARKNBHBJKS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-cyclopropyl-N-[(4-sulfamoylphenyl)methyl]-1,3-oxazole-4-carboxamide
• IUPAC Traditional name: 5-cyclopropyl-N-[(4-sulfamoylphenyl)methyl]-1,3-oxazole-4-carboxamide
• Synonyms: N-[4-(aminosulfonyl)benzyl]-5-cyclopropyl-1,3-oxazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.217197
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.329131
• LogD (pH = 7.4): 0.32855278
• Log P: 0.32913843
• Molar Refractivity: 79.4841 cm^3
• Polarizability: 30.691502 Å^3
• Polar Surface Area: 115.29 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 0.01
• LOG S: -2.86
• Polar Surface Area: 115.29 Å^2
• Rotatable Bonds: 5