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

C15H19FN4O — CID 63343191

IUPAC5-[(3-fluorophenyl)methyl]-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
SMILESCC(c1noc(Cc2cccc(F)c2)n1)N1CCNCC1
InChIInChI=1S/C15H19FN4O/c1-11(20-7-5-17-6-8-20)15-18-14(21-19-15)10-12-3-2-4-13(16)9-12/h2-4,9,11,17H,5-8,10H2,1H3
InChIKeyXQJZXWGLRJBIOO-UHFFFAOYSA-N
MW290.34 g/mol
LogP1.77
Rot. Bonds4

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

5-[(3-fluorophenyl)methyl]-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole (PubChem CID 63343191) has the molecular formula C15H19FN4O and a molecular weight of 290.34 g/mol. Its IUPAC name is 5-[(3-fluorophenyl)methyl]-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(3-fluorophenyl)methyl]-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
PubChem CID63343191
Molecular FormulaC15H19FN4O
Molecular Weight290.34 g/mol
Exact Mass290.15
IUPAC Name5-[(3-fluorophenyl)methyl]-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
SMILESCC(c1noc(Cc2cccc(F)c2)n1)N1CCNCC1
InChIInChI=1S/C15H19FN4O/c1-11(20-7-5-17-6-8-20)15-18-14(21-19-15)10-12-3-2-4-13(16)9-12/h2-4,9,11,17H,5-8,10H2,1H3
InChIKeyXQJZXWGLRJBIOO-UHFFFAOYSA-N
XLogP1.77
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-phenylethyl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
CID 63343102
5-[(2-methylphenyl)methyl]-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
CID 63343354
1-[5-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 61324398
3-(1-piperazin-1-ylethyl)-5-(2,3,3-trimethylbutyl)-1,2,4-oxadiazole
CID 63834040
2-ethoxy-1-[5-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 104633864
3-(3-fluorophenyl)-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
CID 62311650
1-[(1S)-1-(3-fluorophenyl)ethyl]piperazine
CID 51615755
N-[(1R)-1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(3-fluorophenyl)acetamide
CID 96559452
3-(chloromethyl)-5-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole
CID 43120187
1-[(1S)-1-(3-fluorophenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171305039
N-[2-(3-fluorophenyl)ethyl]-2-piperazin-1-ylpropan-1-amine
CID 115255765
5-[(3-fluorophenyl)methyl]-3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole
CID 50769361

Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluorophenyl)methyl]-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(3-fluorophenyl)methyl]-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole (CID 63343191) is 5-[(3-fluorophenyl)methyl]-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(3-fluorophenyl)methyl]-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(3-fluorophenyl)methyl]-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole is CC(c1noc(Cc2cccc(F)c2)n1)N1CCNCC1.
What is the InChIKey of 5-[(3-fluorophenyl)methyl]-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole?
The InChIKey is XQJZXWGLRJBIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O/c1-11(20-7-5-17-6-8-20)15-18-14(21-19-15)10-12-3-2-4-13(16)9-12/h2-4,9,11,17H,5-8,10H2,1H3.
What are the key properties of 5-[(3-fluorophenyl)methyl]-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole?
5-[(3-fluorophenyl)methyl]-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole has a molecular weight of 290.34 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluorophenyl)methyl]-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 63343191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).