2-(furan-2-yl)-5-[[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]methyl]-1,3,4-oxadiazole

C18H17F3N4O5S — CID 4847139

IUPAC2-(furan-2-yl)-5-[[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]methyl]-1,3,4-oxadiazole
SMILESO=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCN(Cc2nnc(-c3ccco3)o2)CC1
InChIInChI=1S/C18H17F3N4O5S/c19-18(20,21)30-13-3-5-14(6-4-13)31(26,27)25-9-7-24(8-10-25)12-16-22-23-17(29-16)15-2-1-11-28-15/h1-6,11H,7-10,12H2
InChIKeyRDJBJONPJFGKAC-UHFFFAOYSA-N
MW458.42 g/mol
LogP2.73
Rot. Bonds6

About 2-(furan-2-yl)-5-[[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]methyl]-1,3,4-oxadiazole

2-(furan-2-yl)-5-[[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]methyl]-1,3,4-oxadiazole (PubChem CID 4847139) has the molecular formula C18H17F3N4O5S and a molecular weight of 458.42 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-[[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(furan-2-yl)-5-[[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]methyl]-1,3,4-oxadiazole
PubChem CID4847139
Molecular FormulaC18H17F3N4O5S
Molecular Weight458.42 g/mol
Exact Mass458.09
IUPAC Name2-(furan-2-yl)-5-[[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]methyl]-1,3,4-oxadiazole
SMILESO=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCN(Cc2nnc(-c3ccco3)o2)CC1
InChIInChI=1S/C18H17F3N4O5S/c19-18(20,21)30-13-3-5-14(6-4-13)31(26,27)25-9-7-24(8-10-25)12-16-22-23-17(29-16)15-2-1-11-28-15/h1-6,11H,7-10,12H2
InChIKeyRDJBJONPJFGKAC-UHFFFAOYSA-N
XLogP2.73
TPSA101.91 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.42
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-[[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(furan-2-yl)-5-[[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]methyl]-1,3,4-oxadiazole (CID 4847139) is 2-(furan-2-yl)-5-[[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(furan-2-yl)-5-[[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(furan-2-yl)-5-[[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]methyl]-1,3,4-oxadiazole is O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCN(Cc2nnc(-c3ccco3)o2)CC1.
What is the InChIKey of 2-(furan-2-yl)-5-[[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]methyl]-1,3,4-oxadiazole?
The InChIKey is RDJBJONPJFGKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O5S/c19-18(20,21)30-13-3-5-14(6-4-13)31(26,27)25-9-7-24(8-10-25)12-16-22-23-17(29-16)15-2-1-11-28-15/h1-6,11H,7-10,12H2.
What are the key properties of 2-(furan-2-yl)-5-[[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]methyl]-1,3,4-oxadiazole?
2-(furan-2-yl)-5-[[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]methyl]-1,3,4-oxadiazole has a molecular weight of 458.42 g/mol, XLogP of 2.73, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5-[[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 4847139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).