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

C13H15FN4O — CID 118396399

IUPAC3-[(4-fluorophenyl)methyl]-5-piperazin-1-yl-1,2,4-oxadiazole
SMILESFc1ccc(Cc2noc(N3CCNCC3)n2)cc1
InChIInChI=1S/C13H15FN4O/c14-11-3-1-10(2-4-11)9-12-16-13(19-17-12)18-7-5-15-6-8-18/h1-4,15H,5-9H2
InChIKeyNDNOTMRUUFENGN-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.21
Rot. Bonds3

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

3-[(4-fluorophenyl)methyl]-5-piperazin-1-yl-1,2,4-oxadiazole (PubChem CID 118396399) has the molecular formula C13H15FN4O and a molecular weight of 262.29 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-5-piperazin-1-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-5-piperazin-1-yl-1,2,4-oxadiazole
PubChem CID118396399
Molecular FormulaC13H15FN4O
Molecular Weight262.29 g/mol
Exact Mass262.12
IUPAC Name3-[(4-fluorophenyl)methyl]-5-piperazin-1-yl-1,2,4-oxadiazole
SMILESFc1ccc(Cc2noc(N3CCNCC3)n2)cc1
InChIInChI=1S/C13H15FN4O/c14-11-3-1-10(2-4-11)9-12-16-13(19-17-12)18-7-5-15-6-8-18/h1-4,15H,5-9H2
InChIKeyNDNOTMRUUFENGN-UHFFFAOYSA-N
XLogP1.21
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-5-piperazin-1-yl-1,2,4-oxadiazole?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-5-piperazin-1-yl-1,2,4-oxadiazole (CID 118396399) is 3-[(4-fluorophenyl)methyl]-5-piperazin-1-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-5-piperazin-1-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-5-piperazin-1-yl-1,2,4-oxadiazole is Fc1ccc(Cc2noc(N3CCNCC3)n2)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-5-piperazin-1-yl-1,2,4-oxadiazole?
The InChIKey is NDNOTMRUUFENGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O/c14-11-3-1-10(2-4-11)9-12-16-13(19-17-12)18-7-5-15-6-8-18/h1-4,15H,5-9H2.
What are the key properties of 3-[(4-fluorophenyl)methyl]-5-piperazin-1-yl-1,2,4-oxadiazole?
3-[(4-fluorophenyl)methyl]-5-piperazin-1-yl-1,2,4-oxadiazole has a molecular weight of 262.29 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-5-piperazin-1-yl-1,2,4-oxadiazole is sourced from PubChem (CID 118396399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).