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

C17H23FN4O — CID 86804175

IUPAC5-[[4-[2-(4-fluorophenyl)propyl]piperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(CN2CCN(CC(C)c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C17H23FN4O/c1-13(15-3-5-16(18)6-4-15)11-21-7-9-22(10-8-21)12-17-19-14(2)20-23-17/h3-6,13H,7-12H2,1-2H3
InChIKeyJFFJRYSVEHWLLA-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.44
Rot. Bonds5

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

5-[[4-[2-(4-fluorophenyl)propyl]piperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole (PubChem CID 86804175) has the molecular formula C17H23FN4O and a molecular weight of 318.40 g/mol. Its IUPAC name is 5-[[4-[2-(4-fluorophenyl)propyl]piperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[4-[2-(4-fluorophenyl)propyl]piperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole
PubChem CID86804175
Molecular FormulaC17H23FN4O
Molecular Weight318.40 g/mol
Exact Mass318.19
IUPAC Name5-[[4-[2-(4-fluorophenyl)propyl]piperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(CN2CCN(CC(C)c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C17H23FN4O/c1-13(15-3-5-16(18)6-4-15)11-21-7-9-22(10-8-21)12-17-19-14(2)20-23-17/h3-6,13H,7-12H2,1-2H3
InChIKeyJFFJRYSVEHWLLA-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-[2-(4-fluorophenyl)propyl]piperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[[4-[2-(4-fluorophenyl)propyl]piperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole (CID 86804175) is 5-[[4-[2-(4-fluorophenyl)propyl]piperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[4-[2-(4-fluorophenyl)propyl]piperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[[4-[2-(4-fluorophenyl)propyl]piperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole is Cc1noc(CN2CCN(CC(C)c3ccc(F)cc3)CC2)n1.
What is the InChIKey of 5-[[4-[2-(4-fluorophenyl)propyl]piperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is JFFJRYSVEHWLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4O/c1-13(15-3-5-16(18)6-4-15)11-21-7-9-22(10-8-21)12-17-19-14(2)20-23-17/h3-6,13H,7-12H2,1-2H3.
What are the key properties of 5-[[4-[2-(4-fluorophenyl)propyl]piperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole?
5-[[4-[2-(4-fluorophenyl)propyl]piperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 318.40 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[2-(4-fluorophenyl)propyl]piperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 86804175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).