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

• ChemBase ID: 477454
• Molecular Formular: C11H19N3O2
• Molecular Mass: 225.28746
• Monoisotopic Mass: 225.14772686
• SMILES: n1c(noc1CN(C(C)C)C)C1COCC1
• Canonical SMILES: CN(C(C)C)Cc1onc(n1)C1COCC1
• InChI: InChI=1S/C11H19N3O2/c1-8(2)14(3)6-10-12-11(13-16-10)9-4-5-15-7-9/h8-9H,4-7H2,1-3H3
• InChIKey: YLRKMGOLMVOLLV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.42275444
• LogD (pH = 7.4): 1.0143185
• Log P: 1.1942343
• Molar Refractivity: 62.3313 cm^3
• Polarizability: 23.447798 Å^3
• Polar Surface Area: 51.39 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.41
• LOG S: -0.19
• Polar Surface Area: 51.39 Å^2
• Rotatable Bonds: 4