1-(benzenesulfonyl)-4-(1,2-oxazole-5-carbonyl)piperazine

• ChemBase ID: 470924
• Molecular Formular: C14H15N3O4S
• Molecular Mass: 321.3516
• Monoisotopic Mass: 321.07832698
• SMILES: S(=O)(=O)(N1CCN(C(=O)c2oncc2)CC1)c1ccccc1
• Canonical SMILES: O=C(c1ccno1)N1CCN(CC1)S(=O)(=O)c1ccccc1
• InChI: InChI=1S/C14H15N3O4S/c18-14(13-6-7-15-21-13)16-8-10-17(11-9-16)22(19,20)12-4-2-1-3-5-12/h1-7H,8-11H2
• InChIKey: PKJLSHJZAVZQFS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(benzenesulfonyl)-4-(1,2-oxazole-5-carbonyl)piperazine
• IUPAC Traditional name: 1-(benzenesulfonyl)-4-(1,2-oxazole-5-carbonyl)piperazine
• Synonyms: 1-(5-isoxazolylcarbonyl)-4-(phenylsulfonyl)piperazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.2393635
• LogD (pH = 7.4): 0.2393636
• Log P: 0.2393636
• Molar Refractivity: 80.3206 cm^3
• Polarizability: 30.77246 Å^3
• Polar Surface Area: 83.72 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 0.95
• LOG S: -1.24
• Polar Surface Area: 83.72 Å^2
• Rotatable Bonds: 2