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

C17H23ClN4O — CID 167837913

IUPAC3-[(4-chlorophenyl)methyl]-5-[1-(4-ethylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
SMILESCCN1CCN(C(C)c2nc(Cc3ccc(Cl)cc3)no2)CC1
InChIInChI=1S/C17H23ClN4O/c1-3-21-8-10-22(11-9-21)13(2)17-19-16(20-23-17)12-14-4-6-15(18)7-5-14/h4-7,13H,3,8-12H2,1-2H3
InChIKeyLDUUQLGWWLVWBF-UHFFFAOYSA-N
MW334.85 g/mol
LogP3.01
Rot. Bonds5

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

3-[(4-chlorophenyl)methyl]-5-[1-(4-ethylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole (PubChem CID 167837913) has the molecular formula C17H23ClN4O and a molecular weight of 334.85 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methyl]-5-[1-(4-ethylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methyl]-5-[1-(4-ethylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
PubChem CID167837913
Molecular FormulaC17H23ClN4O
Molecular Weight334.85 g/mol
Exact Mass334.16
IUPAC Name3-[(4-chlorophenyl)methyl]-5-[1-(4-ethylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
SMILESCCN1CCN(C(C)c2nc(Cc3ccc(Cl)cc3)no2)CC1
InChIInChI=1S/C17H23ClN4O/c1-3-21-8-10-22(11-9-21)13(2)17-19-16(20-23-17)12-14-4-6-15(18)7-5-14/h4-7,13H,3,8-12H2,1-2H3
InChIKeyLDUUQLGWWLVWBF-UHFFFAOYSA-N
XLogP3.01
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[(4-chlorophenyl)methyl]-5-[1-(4-ethylpiperazin-1-yl)ethyl]-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-chlorophenyl)methyl]-5-[1-(4-ethylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[(4-chlorophenyl)methyl]-5-[1-(4-ethylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole (CID 167837913) is 3-[(4-chlorophenyl)methyl]-5-[1-(4-ethylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(4-chlorophenyl)methyl]-5-[1-(4-ethylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[(4-chlorophenyl)methyl]-5-[1-(4-ethylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole is CCN1CCN(C(C)c2nc(Cc3ccc(Cl)cc3)no2)CC1.
What is the InChIKey of 3-[(4-chlorophenyl)methyl]-5-[1-(4-ethylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole?
The InChIKey is LDUUQLGWWLVWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN4O/c1-3-21-8-10-22(11-9-21)13(2)17-19-16(20-23-17)12-14-4-6-15(18)7-5-14/h4-7,13H,3,8-12H2,1-2H3.
What are the key properties of 3-[(4-chlorophenyl)methyl]-5-[1-(4-ethylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole?
3-[(4-chlorophenyl)methyl]-5-[1-(4-ethylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole has a molecular weight of 334.85 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methyl]-5-[1-(4-ethylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 167837913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).