5-methyl-3-(4-piperazin-1-ylphenyl)-1,2,4-oxadiazole;hydrochloride

C13H17ClN4O — CID 69036653

IUPAC5-methyl-3-(4-piperazin-1-ylphenyl)-1,2,4-oxadiazole;hydrochloride
SMILESCc1nc(-c2ccc(N3CCNCC3)cc2)no1.Cl
InChIInChI=1S/C13H16N4O.ClH/c1-10-15-13(16-18-10)11-2-4-12(5-3-11)17-8-6-14-7-9-17;/h2-5,14H,6-9H2,1H3;1H
InChIKeyYVLVSEHCKASXIE-UHFFFAOYSA-N
MW280.76 g/mol
LogP1.88
Rot. Bonds2

About 5-methyl-3-(4-piperazin-1-ylphenyl)-1,2,4-oxadiazole;hydrochloride

5-methyl-3-(4-piperazin-1-ylphenyl)-1,2,4-oxadiazole;hydrochloride (PubChem CID 69036653) has the molecular formula C13H17ClN4O and a molecular weight of 280.76 g/mol. Its IUPAC name is 5-methyl-3-(4-piperazin-1-ylphenyl)-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name5-methyl-3-(4-piperazin-1-ylphenyl)-1,2,4-oxadiazole;hydrochloride
PubChem CID69036653
Molecular FormulaC13H17ClN4O
Molecular Weight280.76 g/mol
Exact Mass280.11
IUPAC Name5-methyl-3-(4-piperazin-1-ylphenyl)-1,2,4-oxadiazole;hydrochloride
SMILESCc1nc(-c2ccc(N3CCNCC3)cc2)no1.Cl
InChIInChI=1S/C13H16N4O.ClH/c1-10-15-13(16-18-10)11-2-4-12(5-3-11)17-8-6-14-7-9-17;/h2-5,14H,6-9H2,1H3;1H
InChIKeyYVLVSEHCKASXIE-UHFFFAOYSA-N
XLogP1.88
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.76
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-methyl-3-(4-piperazin-1-ylphenyl)-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

2,4,6-tris(4-piperazin-1-ylphenyl)-1,3,5-triazine
CID 146566089
2,4-dimethyl-6-(4-piperazin-1-ylphenyl)-1,3,5-triazine
CID 82487984
cyclobutyl-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]methanone
CID 53033521
[4-(2,5-dimethylpyrrol-1-yl)phenyl]-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]methanone
CID 53041886
4-[4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]morpholine
CID 50769427
4-methyl-2-(4-piperazin-1-ylphenyl)-1,3-oxazole
CID 82478157
N-[4-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carbonyl]phenyl]acetamide
CID 53041887
2-(3-fluorophenyl)-1-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]ethanone
CID 53033532
1-[4-(2,5-dimethyl-1,2,4-triazol-3-yl)phenyl]piperazine
CID 82483118
3-(4-chlorophenyl)-5-methyl-1,2,4-oxadiazole
CID 684002
[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 53064590
N-[1-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide
CID 53041884

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(4-piperazin-1-ylphenyl)-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 5-methyl-3-(4-piperazin-1-ylphenyl)-1,2,4-oxadiazole;hydrochloride (CID 69036653) is 5-methyl-3-(4-piperazin-1-ylphenyl)-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 5-methyl-3-(4-piperazin-1-ylphenyl)-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 5-methyl-3-(4-piperazin-1-ylphenyl)-1,2,4-oxadiazole;hydrochloride is Cc1nc(-c2ccc(N3CCNCC3)cc2)no1.Cl.
What is the InChIKey of 5-methyl-3-(4-piperazin-1-ylphenyl)-1,2,4-oxadiazole;hydrochloride?
The InChIKey is YVLVSEHCKASXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O.ClH/c1-10-15-13(16-18-10)11-2-4-12(5-3-11)17-8-6-14-7-9-17;/h2-5,14H,6-9H2,1H3;1H.
What are the key properties of 5-methyl-3-(4-piperazin-1-ylphenyl)-1,2,4-oxadiazole;hydrochloride?
5-methyl-3-(4-piperazin-1-ylphenyl)-1,2,4-oxadiazole;hydrochloride has a molecular weight of 280.76 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(4-piperazin-1-ylphenyl)-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 69036653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).