(2S,3R)-2-({[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl}amino)-3-hydroxybutanamide

• ChemBase ID: 844415
• Molecular Formular: C11H14N4O4
• Molecular Mass: 266.25326
• Monoisotopic Mass: 266.10150495
• SMILES: c1(nc(on1)CN[C@H](C(=O)N)[C@H](O)C)c1occc1
• Canonical SMILES: C[C@H]([C@@H](C(=O)N)NCc1onc(n1)c1ccco1)O
• InChI: InChI=1S/C11H14N4O4/c1-6(16)9(10(12)17)13-5-8-14-11(15-19-8)7-3-2-4-18-7/h2-4,6,9,13,16H,5H2,1H3,(H2,12,17)/t6-,9+/m1/s1
• InChIKey: KZSURUSSGHEMPD-MUWHJKNJSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S,3R)-2-({[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl}amino)-3-hydroxybutanamide
• IUPAC Traditional name: (2S,3R)-2-({[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl}amino)-3-hydroxybutanamide
• Synonyms: (2S,3R)-2-({[3-(2-furyl)-1,2,4-oxadiazol-5-yl]methyl}amino)-3-hydroxybutanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.498959
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): -0.9069949
• LogD (pH = 7.4): -0.4885642
• Log P: -0.47948906
• Molar Refractivity: 75.4143 cm^3
• Polarizability: 25.280743 Å^3
• Polar Surface Area: 127.41 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 3
• Log P: -1.28
• LOG S: -1.36
• Polar Surface Area: 127.41 Å^2
• Rotatable Bonds: 6