N-[3-(dimethyl-1,2-oxazol-4-yl)propyl]-2-(dimethylamino)-2-(3-fluorophenyl)acetamide

• ChemBase ID: 865511
• Molecular Formular: C18H24FN3O2
• Molecular Mass: 333.4004632
• Monoisotopic Mass: 333.18525524
• SMILES: n1oc(c(c1C)CCCNC(=O)C(c1cc(F)ccc1)N(C)C)C
• Canonical SMILES: Fc1cccc(c1)C(C(=O)NCCCc1c(C)noc1C)N(C)C
• InChI: InChI=1S/C18H24FN3O2/c1-12-16(13(2)24-21-12)9-6-10-20-18(23)17(22(3)4)14-7-5-8-15(19)11-14/h5,7-8,11,17H,6,9-10H2,1-4H3,(H,20,23)
• InChIKey: PDVYPEJVKYNCHI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(dimethyl-1,2-oxazol-4-yl)propyl]-2-(dimethylamino)-2-(3-fluorophenyl)acetamide
• IUPAC Traditional name: N-[3-(dimethyl-1,2-oxazol-4-yl)propyl]-2-(dimethylamino)-2-(3-fluorophenyl)acetamide
• Synonyms: 2-(dimethylamino)-N-[3-(3,5-dimethyl-4-isoxazolyl)propyl]-2-(3-fluorophenyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.371457
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.8984653
• LogD (pH = 7.4): 2.1966064
• Log P: 2.3171976
• Molar Refractivity: 92.5177 cm^3
• Polarizability: 34.727215 Å^3
• Polar Surface Area: 58.37 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.46
• LOG S: -3.73
• Polar Surface Area: 58.37 Å^2
• Rotatable Bonds: 7