N-benzyl-5-cyclopropyl-N-(1,1-dioxo-1λ6-thiolan-3-yl)-1,3-oxazole-4-carboxamide

• ChemBase ID: 728264
• Molecular Formular: C18H20N2O4S
• Molecular Mass: 360.4274
• Monoisotopic Mass: 360.11437813
• SMILES: c1(C(=O)N(C2CS(=O)(=O)CC2)Cc2ccccc2)c(C2CC2)ocn1
• Canonical SMILES: O=C(c1ncoc1C1CC1)N(C1CCS(=O)(=O)C1)Cc1ccccc1
• InChI: InChI=1S/C18H20N2O4S/c21-18(16-17(14-6-7-14)24-12-19-16)20(10-13-4-2-1-3-5-13)15-8-9-25(22,23)11-15/h1-5,12,14-15H,6-11H2
• InChIKey: GZVNFLGSXIYRLV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-5-cyclopropyl-N-(1,1-dioxo-1λ^6-thiolan-3-yl)-1,3-oxazole-4-carboxamide
• IUPAC Traditional name: N-benzyl-5-cyclopropyl-N-(1,1-dioxo-1λ^6-thiolan-3-yl)-1,3-oxazole-4-carboxamide
• Synonyms: N-benzyl-5-cyclopropyl-N-(1,1-dioxidotetrahydro-3-thienyl)-1,3-oxazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.7268673
• LogD (pH = 7.4): 0.7268673
• Log P: 0.7268673
• Molar Refractivity: 92.7739 cm^3
• Polarizability: 36.17285 Å^3
• Polar Surface Area: 80.48 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.12
• LOG S: -3.24
• Polar Surface Area: 80.48 Å^2
• Rotatable Bonds: 5