N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-(dimethylamino)-2-(3-fluorophenyl)-N-methylacetamide

• ChemBase ID: 361315
• Molecular Formular: C17H21FN4O2
• Molecular Mass: 332.3726432
• Monoisotopic Mass: 332.16485415
• SMILES: n1c(noc1CN(C(=O)C(c1cc(F)ccc1)N(C)C)C)C1CC1
• Canonical SMILES: CN(C(C(=O)N(Cc1onc(n1)C1CC1)C)c1cccc(c1)F)C
• InChI: InChI=1S/C17H21FN4O2/c1-21(2)15(12-5-4-6-13(18)9-12)17(23)22(3)10-14-19-16(20-24-14)11-7-8-11/h4-6,9,11,15H,7-8,10H2,1-3H3
• InChIKey: LQFKXEVSDZRUGC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-(dimethylamino)-2-(3-fluorophenyl)-N-methylacetamide
• IUPAC Traditional name: N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-(dimethylamino)-2-(3-fluorophenyl)-N-methylacetamide
• Synonyms: N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-(dimethylamino)-2-(3-fluorophenyl)-N-methylacetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.9044229
• LogD (pH = 7.4): 2.2373934
• Log P: 2.3701642
• Molar Refractivity: 88.8419 cm^3
• Polarizability: 33.242912 Å^3
• Polar Surface Area: 62.47 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.41
• LOG S: -2.83
• Polar Surface Area: 62.47 Å^2
• Rotatable Bonds: 6