1-{[2-(4-fluoro-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-4-(2-methoxyethyl)piperazine

• ChemBase ID: 697322
• Molecular Formular: C19H26FN3O3
• Molecular Mass: 363.4264432
• Monoisotopic Mass: 363.19581993
• SMILES: n1c(c(oc1c1cc(c(cc1)F)OC)C)CN1CCN(CC1)CCOC
• Canonical SMILES: COCCN1CCN(CC1)Cc1nc(oc1C)c1ccc(c(c1)OC)F
• InChI: InChI=1S/C19H26FN3O3/c1-14-17(13-23-8-6-22(7-9-23)10-11-24-2)21-19(26-14)15-4-5-16(20)18(12-15)25-3/h4-5,12H,6-11,13H2,1-3H3
• InChIKey: PWDMAGVARNVCPN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{[2-(4-fluoro-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-4-(2-methoxyethyl)piperazine
• IUPAC Traditional name: 1-{[2-(4-fluoro-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-4-(2-methoxyethyl)piperazine
• Synonyms: 1-{[2-(4-fluoro-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-4-(2-methoxyethyl)piperazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.223952
• LogD (pH = 7.4): 1.4784728
• Log P: 1.9475121
• Molar Refractivity: 108.8124 cm^3
• Polarizability: 38.280895 Å^3
• Polar Surface Area: 50.97 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 2.53
• LOG S: -0.89
• Polar Surface Area: 50.97 Å^2
• Rotatable Bonds: 5