2-{[5-(1,2-oxazol-5-yl)furan-2-yl]sulfonyl}-2,8-diazaspiro[4.5]decane

• ChemBase ID: 566257
• Molecular Formular: C15H19N3O4S
• Molecular Mass: 337.39406
• Monoisotopic Mass: 337.1096271
• SMILES: S(=O)(=O)(c1oc(c2oncc2)cc1)N1CC2(CC1)CCNCC2
• Canonical SMILES: O=S(=O)(c1ccc(o1)c1ccno1)N1CCC2(C1)CCNCC2
• InChI: InChI=1S/C15H19N3O4S/c19-23(20,14-2-1-12(21-14)13-3-7-17-22-13)18-10-6-15(11-18)4-8-16-9-5-15/h1-3,7,16H,4-6,8-11H2
• InChIKey: IACDZHLNKHICSI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{[5-(1,2-oxazol-5-yl)furan-2-yl]sulfonyl}-2,8-diazaspiro[4.5]decane
• IUPAC Traditional name: 2-[5-(1,2-oxazol-5-yl)furan-2-ylsulfonyl]-2,8-diazaspiro[4.5]decane
• Synonyms: 2-[(5-isoxazol-5-yl-2-furyl)sulfonyl]-2,8-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.1032333
• LogD (pH = 7.4): -2.415791
• Log P: 0.116765164
• Molar Refractivity: 83.7501 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: 0.55
• LOG S: -1.12
• Polar Surface Area: 88.58 Å^2
• Rotatable Bonds: 2