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

C18H17F3N4O2 — CID 4827831

IUPAC2-(furan-2-yl)-5-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
SMILESFC(F)(F)c1cccc(N2CCN(Cc3nnc(-c4ccco4)o3)CC2)c1
InChIInChI=1S/C18H17F3N4O2/c19-18(20,21)13-3-1-4-14(11-13)25-8-6-24(7-9-25)12-16-22-23-17(27-16)15-5-2-10-26-15/h1-5,10-11H,6-9,12H2
InChIKeyVHCCSATXEZULEW-UHFFFAOYSA-N
MW378.35 g/mol
LogP3.67
Rot. Bonds4

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

2-(furan-2-yl)-5-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole (PubChem CID 4827831) has the molecular formula C18H17F3N4O2 and a molecular weight of 378.35 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(furan-2-yl)-5-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
PubChem CID4827831
Molecular FormulaC18H17F3N4O2
Molecular Weight378.35 g/mol
Exact Mass378.13
IUPAC Name2-(furan-2-yl)-5-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
SMILESFC(F)(F)c1cccc(N2CCN(Cc3nnc(-c4ccco4)o3)CC2)c1
InChIInChI=1S/C18H17F3N4O2/c19-18(20,21)13-3-1-4-14(11-13)25-8-6-24(7-9-25)12-16-22-23-17(27-16)15-5-2-10-26-15/h1-5,10-11H,6-9,12H2
InChIKeyVHCCSATXEZULEW-UHFFFAOYSA-N
XLogP3.67
TPSA58.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(furan-2-yl)-5-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole (CID 4827831) is 2-(furan-2-yl)-5-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(furan-2-yl)-5-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(furan-2-yl)-5-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole is FC(F)(F)c1cccc(N2CCN(Cc3nnc(-c4ccco4)o3)CC2)c1.
What is the InChIKey of 2-(furan-2-yl)-5-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole?
The InChIKey is VHCCSATXEZULEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O2/c19-18(20,21)13-3-1-4-14(11-13)25-8-6-24(7-9-25)12-16-22-23-17(27-16)15-5-2-10-26-15/h1-5,10-11H,6-9,12H2.
What are the key properties of 2-(furan-2-yl)-5-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole?
2-(furan-2-yl)-5-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole has a molecular weight of 378.35 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 4827831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).