4-({2-[3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}sulfonyl)morpholine

• ChemBase ID: 426705
• Molecular Formular: C15H19N5O4S
• Molecular Mass: 365.40746
• Monoisotopic Mass: 365.11577511
• SMILES: S(=O)(=O)(N1C(c2nc(no2)c2ncccc2)CCC1)N1CCOCC1
• Canonical SMILES: O=S(=O)(N1CCCC1c1onc(n1)c1ccccn1)N1CCOCC1
• InChI: InChI=1S/C15H19N5O4S/c21-25(22,19-8-10-23-11-9-19)20-7-3-5-13(20)15-17-14(18-24-15)12-4-1-2-6-16-12/h1-2,4,6,13H,3,5,7-11H2
• InChIKey: RFDXKLBEZPXQSR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-({2-[3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}sulfonyl)morpholine
• IUPAC Traditional name: 4-{2-[3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-ylsulfonyl}morpholine
• Synonyms: 4-({2-[3-(2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-pyrrolidinyl}sulfonyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 7
• H Donor: 0
• LogD (pH = 5.5): 0.55765414
• LogD (pH = 7.4): 0.55765414
• Log P: 0.55765414
• Molar Refractivity: 100.2271 cm^3
• Polarizability: 35.733574 Å^3
• Polar Surface Area: 101.66 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: -1.64
• LOG S: -1.77
• Polar Surface Area: 101.66 Å^2
• Rotatable Bonds: 2