[(5-fluoro-1H-indol-2-yl)methyl]({[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl})methylamine

• ChemBase ID: 512141
• Molecular Formular: C19H18FN3O2
• Molecular Mass: 339.3635232
• Monoisotopic Mass: 339.13830505
• SMILES: n1c(oc(c1CN(Cc1[nH]c2c(c1)cc(cc2)F)C)C)c1occc1
• Canonical SMILES: CN(Cc1nc(oc1C)c1ccco1)Cc1[nH]c2c(c1)cc(cc2)F
• InChI: InChI=1S/C19H18FN3O2/c1-12-17(22-19(25-12)18-4-3-7-24-18)11-23(2)10-15-9-13-8-14(20)5-6-16(13)21-15/h3-9,21H,10-11H2,1-2H3
• InChIKey: MQBJAIZSMXAOAR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(5-fluoro-1H-indol-2-yl)methyl]({[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl})methylamine
• IUPAC Traditional name: [(5-fluoro-1H-indol-2-yl)methyl]({[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl})methylamine
• Synonyms: 1-(5-fluoro-1H-indol-2-yl)-N-{[2-(2-furyl)-5-methyl-1,3-oxazol-4-yl]methyl}-N-methylmethanamine

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.7334175
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.5637046
• LogD (pH = 7.4): 2.9521573
• Log P: 3.1085222
• Molar Refractivity: 103.2231 cm^3
• Polarizability: 36.718487 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.43
• LOG S: -4.05
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 5