1-[4-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]ethanone

C15H17FN4O2 — CID 42691801

IUPAC1-[4-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(Cc2noc(-c3cccc(F)c3)n2)CC1
InChIInChI=1S/C15H17FN4O2/c1-11(21)20-7-5-19(6-8-20)10-14-17-15(22-18-14)12-3-2-4-13(16)9-12/h2-4,9H,5-8,10H2,1H3
InChIKeyIUCJIMWLMRILID-UHFFFAOYSA-N
MW304.32 g/mol
LogP1.54
Rot. Bonds3

About 1-[4-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]ethanone

1-[4-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]ethanone (PubChem CID 42691801) has the molecular formula C15H17FN4O2 and a molecular weight of 304.32 g/mol. Its IUPAC name is 1-[4-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]ethanone
PubChem CID42691801
Molecular FormulaC15H17FN4O2
Molecular Weight304.32 g/mol
Exact Mass304.13
IUPAC Name1-[4-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(Cc2noc(-c3cccc(F)c3)n2)CC1
InChIInChI=1S/C15H17FN4O2/c1-11(21)20-7-5-19(6-8-20)10-14-17-15(22-18-14)12-3-2-4-13(16)9-12/h2-4,9H,5-8,10H2,1H3
InChIKeyIUCJIMWLMRILID-UHFFFAOYSA-N
XLogP1.54
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]ethanone (CID 42691801) is 1-[4-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(Cc2noc(-c3cccc(F)c3)n2)CC1.
What is the InChIKey of 1-[4-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]ethanone?
The InChIKey is IUCJIMWLMRILID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O2/c1-11(21)20-7-5-19(6-8-20)10-14-17-15(22-18-14)12-3-2-4-13(16)9-12/h2-4,9H,5-8,10H2,1H3.
What are the key properties of 1-[4-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]ethanone?
1-[4-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]ethanone has a molecular weight of 304.32 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 42691801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).