{[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl}[(4-methyl-1,2,3-thiadiazol-5-yl)methyl]amine

• ChemBase ID: 458686
• Molecular Formular: C11H11N5O2S
• Molecular Mass: 277.30234
• Monoisotopic Mass: 277.06334562
• SMILES: c1(nc(on1)CNCc1c(nns1)C)c1occc1
• Canonical SMILES: Cc1nnsc1CNCc1onc(n1)c1ccco1
• InChI: InChI=1S/C11H11N5O2S/c1-7-9(19-16-14-7)5-12-6-10-13-11(15-18-10)8-3-2-4-17-8/h2-4,12H,5-6H2,1H3
• InChIKey: IYMHTDZIXOVNBD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl}[(4-methyl-1,2,3-thiadiazol-5-yl)methyl]amine
• IUPAC Traditional name: {[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl}[(4-methyl-1,2,3-thiadiazol-5-yl)methyl]amine
• Synonyms: 1-[3-(2-furyl)-1,2,4-oxadiazol-5-yl]-N-[(4-methyl-1,2,3-thiadiazol-5-yl)methyl]methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.91420597
• LogD (pH = 7.4): 1.307135
• Log P: 1.3153647
• Molar Refractivity: 80.3373 cm^3
• Polarizability: 26.196005 Å^3
• Polar Surface Area: 89.87 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: -0.36
• LOG S: -1.21
• Polar Surface Area: 89.87 Å^2
• Rotatable Bonds: 5