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

C15H19FN4O — CID 42691803

IUPAC3-[(4-ethylpiperazin-1-yl)methyl]-5-(3-fluorophenyl)-1,2,4-oxadiazole
SMILESCCN1CCN(Cc2noc(-c3cccc(F)c3)n2)CC1
InChIInChI=1S/C15H19FN4O/c1-2-19-6-8-20(9-7-19)11-14-17-15(21-18-14)12-4-3-5-13(16)10-12/h3-5,10H,2,6-9,11H2,1H3
InChIKeyAUICSZNHQIPICI-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.01
Rot. Bonds4

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

3-[(4-ethylpiperazin-1-yl)methyl]-5-(3-fluorophenyl)-1,2,4-oxadiazole (PubChem CID 42691803) has the molecular formula C15H19FN4O and a molecular weight of 290.34 g/mol. Its IUPAC name is 3-[(4-ethylpiperazin-1-yl)methyl]-5-(3-fluorophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(4-ethylpiperazin-1-yl)methyl]-5-(3-fluorophenyl)-1,2,4-oxadiazole
PubChem CID42691803
Molecular FormulaC15H19FN4O
Molecular Weight290.34 g/mol
Exact Mass290.15
IUPAC Name3-[(4-ethylpiperazin-1-yl)methyl]-5-(3-fluorophenyl)-1,2,4-oxadiazole
SMILESCCN1CCN(Cc2noc(-c3cccc(F)c3)n2)CC1
InChIInChI=1S/C15H19FN4O/c1-2-19-6-8-20(9-7-19)11-14-17-15(21-18-14)12-4-3-5-13(16)10-12/h3-5,10H,2,6-9,11H2,1H3
InChIKeyAUICSZNHQIPICI-UHFFFAOYSA-N
XLogP2.01
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[(4-ethylpiperazin-1-yl)methyl]-5-(3-fluorophenyl)-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethylpiperazin-1-yl)methyl]-5-(3-fluorophenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[(4-ethylpiperazin-1-yl)methyl]-5-(3-fluorophenyl)-1,2,4-oxadiazole (CID 42691803) is 3-[(4-ethylpiperazin-1-yl)methyl]-5-(3-fluorophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(4-ethylpiperazin-1-yl)methyl]-5-(3-fluorophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[(4-ethylpiperazin-1-yl)methyl]-5-(3-fluorophenyl)-1,2,4-oxadiazole is CCN1CCN(Cc2noc(-c3cccc(F)c3)n2)CC1.
What is the InChIKey of 3-[(4-ethylpiperazin-1-yl)methyl]-5-(3-fluorophenyl)-1,2,4-oxadiazole?
The InChIKey is AUICSZNHQIPICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O/c1-2-19-6-8-20(9-7-19)11-14-17-15(21-18-14)12-4-3-5-13(16)10-12/h3-5,10H,2,6-9,11H2,1H3.
What are the key properties of 3-[(4-ethylpiperazin-1-yl)methyl]-5-(3-fluorophenyl)-1,2,4-oxadiazole?
3-[(4-ethylpiperazin-1-yl)methyl]-5-(3-fluorophenyl)-1,2,4-oxadiazole has a molecular weight of 290.34 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylpiperazin-1-yl)methyl]-5-(3-fluorophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 42691803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).