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

• ChemBase ID: 655217
• Molecular Formular: C13H17N3O3
• Molecular Mass: 263.29238
• Monoisotopic Mass: 263.12699142
• SMILES: n1c(c2oc(cc2)CN(C)C)onc1C1COCC1
• Canonical SMILES: CN(Cc1ccc(o1)c1onc(n1)C1COCC1)C
• InChI: InChI=1S/C13H17N3O3/c1-16(2)7-10-3-4-11(18-10)13-14-12(15-19-13)9-5-6-17-8-9/h3-4,9H,5-8H2,1-2H3
• InChIKey: GQDSJLCMEVPULA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.4946064
• LogD (pH = 7.4): 0.29688233
• Log P: 1.2501361
• Molar Refractivity: 81.2069 cm^3
• Polarizability: 26.931929 Å^3
• Polar Surface Area: 64.53 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 0.29
• LOG S: -0.36
• Polar Surface Area: 64.53 Å^2
• Rotatable Bonds: 4