2-[2-fluoro-4-(pyrrolidin-1-ylmethyl)phenoxy]-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridine

• ChemBase ID: 718885
• Molecular Formular: C19H19FN4O2
• Molecular Mass: 354.3781632
• Monoisotopic Mass: 354.14920409
• SMILES: n1c(onc1C)c1cc(Oc2c(cc(CN3CCCC3)cc2)F)ncc1
• Canonical SMILES: Cc1noc(n1)c1ccnc(c1)Oc1ccc(cc1F)CN1CCCC1
• InChI: InChI=1S/C19H19FN4O2/c1-13-22-19(26-23-13)15-6-7-21-18(11-15)25-17-5-4-14(10-16(17)20)12-24-8-2-3-9-24/h4-7,10-11H,2-3,8-9,12H2,1H3
• InChIKey: MXXBFAKRFAZMIB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-fluoro-4-(pyrrolidin-1-ylmethyl)phenoxy]-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridine
• IUPAC Traditional name: 2-[2-fluoro-4-(pyrrolidin-1-ylmethyl)phenoxy]-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridine
• Synonyms: 2-[2-fluoro-4-(pyrrolidin-1-ylmethyl)phenoxy]-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.0767802
• LogD (pH = 7.4): 2.8631713
• Log P: 3.659104
• Molar Refractivity: 107.0976 cm^3
• Polarizability: 36.58822 Å^3
• Polar Surface Area: 64.28 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 2.6
• LOG S: -3.0
• Polar Surface Area: 64.28 Å^2
• Rotatable Bonds: 5