7-{[5-(1,2-oxazol-5-yl)furan-2-yl]sulfonyl}-2,7-diazaspiro[4.5]decane

• ChemBase ID: 670994
• Molecular Formular: C15H19N3O4S
• Molecular Mass: 337.39406
• Monoisotopic Mass: 337.1096271
• SMILES: S(=O)(=O)(c1oc(c2oncc2)cc1)N1CC2(CNCC2)CCC1
• Canonical SMILES: O=S(=O)(c1ccc(o1)c1ccno1)N1CCCC2(C1)CNCC2
• InChI: InChI=1S/C15H19N3O4S/c19-23(20,14-3-2-12(21-14)13-4-7-17-22-13)18-9-1-5-15(11-18)6-8-16-10-15/h2-4,7,16H,1,5-6,8-11H2
• InChIKey: SPVJBOAOOLNYNO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-{[5-(1,2-oxazol-5-yl)furan-2-yl]sulfonyl}-2,7-diazaspiro[4.5]decane
• IUPAC Traditional name: 7-[5-(1,2-oxazol-5-yl)furan-2-ylsulfonyl]-2,7-diazaspiro[4.5]decane
• Synonyms: 7-[(5-isoxazol-5-yl-2-furyl)sulfonyl]-2,7-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.9671106
• LogD (pH = 7.4): -2.8200052
• Log P: 0.27267262
• Molar Refractivity: 83.5961 cm^3
• Polarizability: 34.276787 Å^3
• Polar Surface Area: 88.58 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 0.5
• LOG S: -1.08
• Polar Surface Area: 88.58 Å^2
• Rotatable Bonds: 2