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

C17H21FN4O2 — CID 42691836

IUPAC1-[4-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCN(Cc2noc(-c3ccc(F)cc3)n2)CC1
InChIInChI=1S/C17H21FN4O2/c1-2-3-16(23)22-10-8-21(9-11-22)12-15-19-17(24-20-15)13-4-6-14(18)7-5-13/h4-7H,2-3,8-12H2,1H3
InChIKeyVOVFJWCCYRDDPT-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.32
Rot. Bonds5

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

1-[4-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]butan-1-one (PubChem CID 42691836) has the molecular formula C17H21FN4O2 and a molecular weight of 332.38 g/mol. Its IUPAC name is 1-[4-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[4-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]butan-1-one
PubChem CID42691836
Molecular FormulaC17H21FN4O2
Molecular Weight332.38 g/mol
Exact Mass332.16
IUPAC Name1-[4-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCN(Cc2noc(-c3ccc(F)cc3)n2)CC1
InChIInChI=1S/C17H21FN4O2/c1-2-3-16(23)22-10-8-21(9-11-22)12-15-19-17(24-20-15)13-4-6-14(18)7-5-13/h4-7H,2-3,8-12H2,1H3
InChIKeyVOVFJWCCYRDDPT-UHFFFAOYSA-N
XLogP2.32
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]butan-1-one?
The IUPAC name of 1-[4-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]butan-1-one (CID 42691836) is 1-[4-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]butan-1-one.
What is the SMILES notation for 1-[4-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]butan-1-one?
The canonical SMILES for 1-[4-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]butan-1-one is CCCC(=O)N1CCN(Cc2noc(-c3ccc(F)cc3)n2)CC1.
What is the InChIKey of 1-[4-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]butan-1-one?
The InChIKey is VOVFJWCCYRDDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O2/c1-2-3-16(23)22-10-8-21(9-11-22)12-15-19-17(24-20-15)13-4-6-14(18)7-5-13/h4-7H,2-3,8-12H2,1H3.
What are the key properties of 1-[4-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]butan-1-one?
1-[4-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]butan-1-one has a molecular weight of 332.38 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]butan-1-one is sourced from PubChem (CID 42691836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).