3-{[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methoxy}pyridin-2-amine

• ChemBase ID: 370875
• Molecular Formular: C15H14N4O3
• Molecular Mass: 298.29666
• Monoisotopic Mass: 298.10659033
• SMILES: n1c(noc1COc1c(nccc1)N)COc1ccccc1
• Canonical SMILES: Nc1ncccc1OCc1onc(n1)COc1ccccc1
• InChI: InChI=1S/C15H14N4O3/c16-15-12(7-4-8-17-15)21-10-14-18-13(19-22-14)9-20-11-5-2-1-3-6-11/h1-8H,9-10H2,(H2,16,17)
• InChIKey: WNNMIWKVIQFJGR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methoxy}pyridin-2-amine
• IUPAC Traditional name: 3-{[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methoxy}pyridin-2-amine
• Synonyms: 3-{[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methoxy}-2-pyridinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 1.1298316
• LogD (pH = 7.4): 2.0490987
• Log P: 2.1018136
• Molar Refractivity: 80.5204 cm^3
• Polarizability: 29.94062 Å^3
• Polar Surface Area: 96.29 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 2.08
• LOG S: -3.15
• Polar Surface Area: 96.29 Å^2
• Rotatable Bonds: 6