Asp-4058
3-(3H-benzimidazol-5-yl)-5-[3-(trifluoromethyl)-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-1,2,4-oxadiazole
Molecular Identity
Asp-4058
3-(3H-benzimidazol-5-yl)-5-[3-(trifluoromethyl)-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-1,2,4-oxadiazole
PubChem CID: 16755143
2D Structure
Properties
C19H12F6N4O2
Molecular Formula
442.30
Molecular Weight
g/mol
442.0864
Exact Mass
Da
5.4
XLogP
Above Lipinski threshold
76.8
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
11
H-Bond Acceptors
621
Complexity
SMILES
Canonical SMILES
SMILES: CC(C(F)(F)F)OC1=C(C=C(C=C1)C2=NC(=NO2)C3=CC4=C(C=C3)N=CN4)C(F)(F)FIsomeric SMILES
SMILES: C[C@@H](C(F)(F)F)OC1=C(C=C(C=C1)C2=NC(=NO2)C3=CC4=C(C=C3)N=CN4)C(F)(F)FSynonyms(20)
ASP-4058952565-91-2ASP40585-(5-(3-(Trifluoromethyl)-4-(((2S)-1,1,1-trifluoropropan-2-yl)oxy)phenyl)-1,2,4-oxadiazol-3-yl)-1H-benzimidazole01J7526K2Q1H-Benzimidazole, 6-(5-(3-(trifluoromethyl)-4-((1S)-2,2,2-trifluoro-1-methylethoxy)phenyl)-1,2,4-oxadiazol-3-yl)-RefChem:1146045-(5-(3-(trifluoromethyl)-4-(((2S)-1,1,1-trifluoropropan-2-yl)oxy)phenyl)-1,2,4-oxadiazol-3-yl)-1H-1,3-benzodiazoleASP-4058 free base952565-91-2 (free base)(S)-3-(1H-Benzo[D]Imidazol-6-Yl)-5-(3-(Trifluoromethyl)-4-((1,1,1-Trifluoropropan-2-Yl)Oxy)Phenyl)-1,2,4-OxadiazoleDB11819HY-1110216-[5-[3-(Trifluoromethyl)-4-[(1S)-2,2,2-trifluoro-1-methylethoxy]phenyl]-1,2,4-oxadiazol-3-yl]-1H-benzimidazole3-(3H-benzimidazol-5-yl)-5-[3-(trifluoromethyl)-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-1,2,4-oxadiazole
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Asp-4058
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