N-(1-cyclopropylethyl)-3-(5-{[3-(trifluoromethyl)phenyl]methyl}-1,3,4-oxadiazol-2-yl)propanamide

• ChemBase ID: 560866
• Molecular Formular: C18H20F3N3O2
• Molecular Mass: 367.3655096
• Monoisotopic Mass: 367.15076156
• SMILES: n1nc(oc1Cc1cc(C(F)(F)F)ccc1)CCC(=O)NC(C1CC1)C
• Canonical SMILES: O=C(NC(C1CC1)C)CCc1nnc(o1)Cc1cccc(c1)C(F)(F)F
• InChI: InChI=1S/C18H20F3N3O2/c1-11(13-5-6-13)22-15(25)7-8-16-23-24-17(26-16)10-12-3-2-4-14(9-12)18(19,20)21/h2-4,9,11,13H,5-8,10H2,1H3,(H,22,25)
• InChIKey: DKYNBFMDHMEDSY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-cyclopropylethyl)-3-(5-{[3-(trifluoromethyl)phenyl]methyl}-1,3,4-oxadiazol-2-yl)propanamide
• IUPAC Traditional name: N-(1-cyclopropylethyl)-3-(5-{[3-(trifluoromethyl)phenyl]methyl}-1,3,4-oxadiazol-2-yl)propanamide
• Synonyms: N-(1-cyclopropylethyl)-3-{5-[3-(trifluoromethyl)benzyl]-1,3,4-oxadiazol-2-yl}propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.842016
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.3517516
• LogD (pH = 7.4): 2.3517518
• Log P: 2.3517518
• Molar Refractivity: 90.5336 cm^3
• Polarizability: 33.1714 Å^3
• Polar Surface Area: 68.02 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.09
• LOG S: -5.48
• Polar Surface Area: 68.02 Å^2
• Rotatable Bonds: 7