5-[1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-3-propyl-1,2,4-oxadiazole

C17H23FN4O — CID 51113077

IUPAC5-[1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-3-propyl-1,2,4-oxadiazole
SMILESCCCc1noc(C(C)N2CCN(c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C17H23FN4O/c1-3-4-16-19-17(23-20-16)13(2)21-9-11-22(12-10-21)15-7-5-14(18)6-8-15/h5-8,13H,3-4,9-12H2,1-2H3
InChIKeyIMJGNVWFVVSKTC-UHFFFAOYSA-N
MW318.40 g/mol
LogP3.04
Rot. Bonds5

About 5-[1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-3-propyl-1,2,4-oxadiazole

5-[1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-3-propyl-1,2,4-oxadiazole (PubChem CID 51113077) has the molecular formula C17H23FN4O and a molecular weight of 318.40 g/mol. Its IUPAC name is 5-[1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-3-propyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-3-propyl-1,2,4-oxadiazole
PubChem CID51113077
Molecular FormulaC17H23FN4O
Molecular Weight318.40 g/mol
Exact Mass318.19
IUPAC Name5-[1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-3-propyl-1,2,4-oxadiazole
SMILESCCCc1noc(C(C)N2CCN(c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C17H23FN4O/c1-3-4-16-19-17(23-20-16)13(2)21-9-11-22(12-10-21)15-7-5-14(18)6-8-15/h5-8,13H,3-4,9-12H2,1-2H3
InChIKeyIMJGNVWFVVSKTC-UHFFFAOYSA-N
XLogP3.04
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-3-propyl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-3-propyl-1,2,4-oxadiazole (CID 51113077) is 5-[1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-3-propyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-3-propyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-3-propyl-1,2,4-oxadiazole is CCCc1noc(C(C)N2CCN(c3ccc(F)cc3)CC2)n1.
What is the InChIKey of 5-[1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-3-propyl-1,2,4-oxadiazole?
The InChIKey is IMJGNVWFVVSKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4O/c1-3-4-16-19-17(23-20-16)13(2)21-9-11-22(12-10-21)15-7-5-14(18)6-8-15/h5-8,13H,3-4,9-12H2,1-2H3.
What are the key properties of 5-[1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-3-propyl-1,2,4-oxadiazole?
5-[1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-3-propyl-1,2,4-oxadiazole has a molecular weight of 318.40 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-3-propyl-1,2,4-oxadiazole is sourced from PubChem (CID 51113077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).