5-(4-methylphenyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole

C14H18N4O — CID 43348682

IUPAC5-(4-methylphenyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2nc(CN3CCNCC3)no2)cc1
InChIInChI=1S/C14H18N4O/c1-11-2-4-12(5-3-11)14-16-13(17-19-14)10-18-8-6-15-7-9-18/h2-5,15H,6-10H2,1H3
InChIKeyOSJDLMIRLSSEBQ-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.45
Rot. Bonds3

About 5-(4-methylphenyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole

5-(4-methylphenyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole (PubChem CID 43348682) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 5-(4-methylphenyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-methylphenyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
PubChem CID43348682
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name5-(4-methylphenyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2nc(CN3CCNCC3)no2)cc1
InChIInChI=1S/C14H18N4O/c1-11-2-4-12(5-3-11)14-16-13(17-19-14)10-18-8-6-15-7-9-18/h2-5,15H,6-10H2,1H3
InChIKeyOSJDLMIRLSSEBQ-UHFFFAOYSA-N
XLogP1.45
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(4-methylphenyl)-3-(piperazin-1-ylmethyl)-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

Related Compounds

5-(3-chloro-4-methylphenyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
CID 63342148
5-(2,5-dimethylphenyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
CID 63342746
5-naphthalen-2-yl-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
CID 42879628
5-(1-methylpyrazol-4-yl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
CID 63342184
3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-5-(4-methylphenyl)-1,2,4-oxadiazole
CID 42879831
(3R)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-ol
CID 78963885
3-(4-methylphenyl)-5-(piperazin-1-ylmethyl)-1,2-oxazole
CID 43348712
3-(piperazin-1-ylmethyl)-5-(2,4,5-trimethylfuran-3-yl)-1,2,4-oxadiazole
CID 65152492
5-(4-methylphenyl)-3-[(3-piperidin-1-ylazetidin-1-yl)methyl]-1,2,4-oxadiazole
CID 91840884
4-methyl-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-amine
CID 103576636
5-(3-nitrophenyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
CID 63342700
5-(4-methylphenyl)-3-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 134706760

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(4-methylphenyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole (CID 43348682) is 5-(4-methylphenyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-methylphenyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-methylphenyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole is Cc1ccc(-c2nc(CN3CCNCC3)no2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is OSJDLMIRLSSEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-11-2-4-12(5-3-11)14-16-13(17-19-14)10-18-8-6-15-7-9-18/h2-5,15H,6-10H2,1H3.
What are the key properties of 5-(4-methylphenyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole?
5-(4-methylphenyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 258.32 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 43348682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).