1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(4-fluorophenyl)-3-(furan-2-yl)propan-1-one

C21H23FN4O3 — CID 110617463

IUPAC1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(4-fluorophenyl)-3-(furan-2-yl)propan-1-one
SMILESCCc1nnc(N2CCN(C(=O)C(Cc3ccco3)c3ccc(F)cc3)CC2)o1
InChIInChI=1S/C21H23FN4O3/c1-2-19-23-24-21(29-19)26-11-9-25(10-12-26)20(27)18(14-17-4-3-13-28-17)15-5-7-16(22)8-6-15/h3-8,13,18H,2,9-12,14H2,1H3
InChIKeyQONIBVZGACUKHZ-UHFFFAOYSA-N
MW398.44 g/mol
LogP3.04
Rot. Bonds6

About 1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(4-fluorophenyl)-3-(furan-2-yl)propan-1-one

1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(4-fluorophenyl)-3-(furan-2-yl)propan-1-one (PubChem CID 110617463) has the molecular formula C21H23FN4O3 and a molecular weight of 398.44 g/mol. Its IUPAC name is 1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(4-fluorophenyl)-3-(furan-2-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(4-fluorophenyl)-3-(furan-2-yl)propan-1-one
PubChem CID110617463
Molecular FormulaC21H23FN4O3
Molecular Weight398.44 g/mol
Exact Mass398.18
IUPAC Name1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(4-fluorophenyl)-3-(furan-2-yl)propan-1-one
SMILESCCc1nnc(N2CCN(C(=O)C(Cc3ccco3)c3ccc(F)cc3)CC2)o1
InChIInChI=1S/C21H23FN4O3/c1-2-19-23-24-21(29-19)26-11-9-25(10-12-26)20(27)18(14-17-4-3-13-28-17)15-5-7-16(22)8-6-15/h3-8,13,18H,2,9-12,14H2,1H3
InChIKeyQONIBVZGACUKHZ-UHFFFAOYSA-N
XLogP3.04
TPSA75.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(4-fluorophenyl)-3-(furan-2-yl)propan-1-one?
The IUPAC name of 1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(4-fluorophenyl)-3-(furan-2-yl)propan-1-one (CID 110617463) is 1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(4-fluorophenyl)-3-(furan-2-yl)propan-1-one.
What is the SMILES notation for 1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(4-fluorophenyl)-3-(furan-2-yl)propan-1-one?
The canonical SMILES for 1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(4-fluorophenyl)-3-(furan-2-yl)propan-1-one is CCc1nnc(N2CCN(C(=O)C(Cc3ccco3)c3ccc(F)cc3)CC2)o1.
What is the InChIKey of 1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(4-fluorophenyl)-3-(furan-2-yl)propan-1-one?
The InChIKey is QONIBVZGACUKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O3/c1-2-19-23-24-21(29-19)26-11-9-25(10-12-26)20(27)18(14-17-4-3-13-28-17)15-5-7-16(22)8-6-15/h3-8,13,18H,2,9-12,14H2,1H3.
What are the key properties of 1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(4-fluorophenyl)-3-(furan-2-yl)propan-1-one?
1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(4-fluorophenyl)-3-(furan-2-yl)propan-1-one has a molecular weight of 398.44 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(4-fluorophenyl)-3-(furan-2-yl)propan-1-one is sourced from PubChem (CID 110617463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).