1-({5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl}methyl)-4-propylpiperazine

• ChemBase ID: 558922
• Molecular Formular: C19H24F3N3O
• Molecular Mass: 367.4085696
• Monoisotopic Mass: 367.18714706
• SMILES: n1c(c(oc1c1cc(C(F)(F)F)ccc1)C)CN1CCN(CC1)CCC
• Canonical SMILES: CCCN1CCN(CC1)Cc1nc(oc1C)c1cccc(c1)C(F)(F)F
• InChI: InChI=1S/C19H24F3N3O/c1-3-7-24-8-10-25(11-9-24)13-17-14(2)26-18(23-17)15-5-4-6-16(12-15)19(20,21)22/h4-6,12H,3,7-11,13H2,1-2H3
• InChIKey: VFZIWURUNWKJAN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-({5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl}methyl)-4-propylpiperazine
• IUPAC Traditional name: 1-({5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl}methyl)-4-propylpiperazine
• Synonyms: 1-({5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl}methyl)-4-propylpiperazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.0273024
• LogD (pH = 7.4): 2.7976775
• Log P: 3.766636
• Molar Refractivity: 106.3356 cm^3
• Polarizability: 36.373558 Å^3
• Polar Surface Area: 32.51 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.64
• LOG S: -3.98
• Polar Surface Area: 32.51 Å^2
• Rotatable Bonds: 5