N-{[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-N-methyloxolan-3-amine

• ChemBase ID: 700177
• Molecular Formular: C16H19FN2O2
• Molecular Mass: 290.3326632
• Monoisotopic Mass: 290.14305608
• SMILES: n1c(c(oc1c1ccc(cc1)F)C)CN(C1CCOC1)C
• Canonical SMILES: CN(C1COCC1)Cc1nc(oc1C)c1ccc(cc1)F
• InChI: InChI=1S/C16H19FN2O2/c1-11-15(9-19(2)14-7-8-20-10-14)18-16(21-11)12-3-5-13(17)6-4-12/h3-6,14H,7-10H2,1-2H3
• InChIKey: XDJNJKADHBGBFA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-N-methyloxolan-3-amine
• IUPAC Traditional name: N-{[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-N-methyloxolan-3-amine
• Synonyms: N-{[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-N-methyltetrahydro-3-furanamine

CALCULATED PROPERTIES

JChem

• LogD (pH = 7.4): 1.9833523
• Log P: 2.2062657
• Molar Refractivity: 88.8657 cm^3
• Polarizability: 30.543627 Å^3
• Polar Surface Area: 38.5 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.47863725

供应商提供(Chembridge)

• Log P: 2.19
• LOG S: -1.91
• Polar Surface Area: 38.5 Å^2
• Rotatable Bonds: 4
• H Acceptors: 4
• H Donor: 0