3-(1-methylpiperazin-2-yl)-5-[2-(2,3,5-trimethylphenoxy)ethyl]-1,2,4-oxadiazole;hydrochloride

C18H27ClN4O2 — CID 120957753

IUPAC3-(1-methylpiperazin-2-yl)-5-[2-(2,3,5-trimethylphenoxy)ethyl]-1,2,4-oxadiazole;hydrochloride
SMILESCc1cc(C)c(C)c(OCCc2nc(C3CNCCN3C)no2)c1.Cl
InChIInChI=1S/C18H26N4O2.ClH/c1-12-9-13(2)14(3)16(10-12)23-8-5-17-20-18(21-24-17)15-11-19-6-7-22(15)4;/h9-10,15,19H,5-8,11H2,1-4H3;1H
InChIKeyZVOHNDGQONRVER-UHFFFAOYSA-N
MW366.89 g/mol
LogP2.61
Rot. Bonds5

About 3-(1-methylpiperazin-2-yl)-5-[2-(2,3,5-trimethylphenoxy)ethyl]-1,2,4-oxadiazole;hydrochloride

3-(1-methylpiperazin-2-yl)-5-[2-(2,3,5-trimethylphenoxy)ethyl]-1,2,4-oxadiazole;hydrochloride (PubChem CID 120957753) has the molecular formula C18H27ClN4O2 and a molecular weight of 366.89 g/mol. Its IUPAC name is 3-(1-methylpiperazin-2-yl)-5-[2-(2,3,5-trimethylphenoxy)ethyl]-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name3-(1-methylpiperazin-2-yl)-5-[2-(2,3,5-trimethylphenoxy)ethyl]-1,2,4-oxadiazole;hydrochloride
PubChem CID120957753
Molecular FormulaC18H27ClN4O2
Molecular Weight366.89 g/mol
Exact Mass366.18
IUPAC Name3-(1-methylpiperazin-2-yl)-5-[2-(2,3,5-trimethylphenoxy)ethyl]-1,2,4-oxadiazole;hydrochloride
SMILESCc1cc(C)c(C)c(OCCc2nc(C3CNCCN3C)no2)c1.Cl
InChIInChI=1S/C18H26N4O2.ClH/c1-12-9-13(2)14(3)16(10-12)23-8-5-17-20-18(21-24-17)15-11-19-6-7-22(15)4;/h9-10,15,19H,5-8,11H2,1-4H3;1H
InChIKeyZVOHNDGQONRVER-UHFFFAOYSA-N
XLogP2.61
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.89
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(1-methylpiperazin-2-yl)-5-[2-(2,3,5-trimethylphenoxy)ethyl]-1,2,4-oxadiazole;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

5-[2-(3-methylphenoxy)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120957592
5-[2-(2-chlorophenoxy)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120961071
5-(2-ethoxyethyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120960102
5-[2-(2,3-dichlorophenoxy)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120956467
5-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120960836
4-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethoxy]benzamide;hydrochloride
CID 120961454
1-(2,5-dimethylphenyl)-3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one;hydrochloride
CID 120961286
5-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120956845
3-(1-methylpiperazin-2-yl)-5-[2-(1,3-thiazol-4-yl)ethyl]-1,2,4-oxadiazole;hydrochloride
CID 120961594
5-[(4-methoxyphenoxy)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120959692
3-(1-methylpiperazin-2-yl)-5-(2-naphthalen-2-ylethyl)-1,2,4-oxadiazole;hydrochloride
CID 120957131
5-[2-(3,4-dichlorophenyl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120958835

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpiperazin-2-yl)-5-[2-(2,3,5-trimethylphenoxy)ethyl]-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 3-(1-methylpiperazin-2-yl)-5-[2-(2,3,5-trimethylphenoxy)ethyl]-1,2,4-oxadiazole;hydrochloride (CID 120957753) is 3-(1-methylpiperazin-2-yl)-5-[2-(2,3,5-trimethylphenoxy)ethyl]-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 3-(1-methylpiperazin-2-yl)-5-[2-(2,3,5-trimethylphenoxy)ethyl]-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 3-(1-methylpiperazin-2-yl)-5-[2-(2,3,5-trimethylphenoxy)ethyl]-1,2,4-oxadiazole;hydrochloride is Cc1cc(C)c(C)c(OCCc2nc(C3CNCCN3C)no2)c1.Cl.
What is the InChIKey of 3-(1-methylpiperazin-2-yl)-5-[2-(2,3,5-trimethylphenoxy)ethyl]-1,2,4-oxadiazole;hydrochloride?
The InChIKey is ZVOHNDGQONRVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2.ClH/c1-12-9-13(2)14(3)16(10-12)23-8-5-17-20-18(21-24-17)15-11-19-6-7-22(15)4;/h9-10,15,19H,5-8,11H2,1-4H3;1H.
What are the key properties of 3-(1-methylpiperazin-2-yl)-5-[2-(2,3,5-trimethylphenoxy)ethyl]-1,2,4-oxadiazole;hydrochloride?
3-(1-methylpiperazin-2-yl)-5-[2-(2,3,5-trimethylphenoxy)ethyl]-1,2,4-oxadiazole;hydrochloride has a molecular weight of 366.89 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpiperazin-2-yl)-5-[2-(2,3,5-trimethylphenoxy)ethyl]-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 120957753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).