5-(5-benzyl-1-methylpyrazol-3-yl)-3-piperazin-1-yl-1,2,4-oxadiazole

C17H20N6O — CID 167879483

IUPAC5-(5-benzyl-1-methylpyrazol-3-yl)-3-piperazin-1-yl-1,2,4-oxadiazole
SMILESCn1nc(-c2nc(N3CCNCC3)no2)cc1Cc1ccccc1
InChIInChI=1S/C17H20N6O/c1-22-14(11-13-5-3-2-4-6-13)12-15(20-22)16-19-17(21-24-16)23-9-7-18-8-10-23/h2-6,12,18H,7-11H2,1H3
InChIKeyDDSWXQJXRXAHMQ-UHFFFAOYSA-N
MW324.39 g/mol
LogP1.47
Rot. Bonds4

About 5-(5-benzyl-1-methylpyrazol-3-yl)-3-piperazin-1-yl-1,2,4-oxadiazole

5-(5-benzyl-1-methylpyrazol-3-yl)-3-piperazin-1-yl-1,2,4-oxadiazole (PubChem CID 167879483) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is 5-(5-benzyl-1-methylpyrazol-3-yl)-3-piperazin-1-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(5-benzyl-1-methylpyrazol-3-yl)-3-piperazin-1-yl-1,2,4-oxadiazole
PubChem CID167879483
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name5-(5-benzyl-1-methylpyrazol-3-yl)-3-piperazin-1-yl-1,2,4-oxadiazole
SMILESCn1nc(-c2nc(N3CCNCC3)no2)cc1Cc1ccccc1
InChIInChI=1S/C17H20N6O/c1-22-14(11-13-5-3-2-4-6-13)12-15(20-22)16-19-17(21-24-16)23-9-7-18-8-10-23/h2-6,12,18H,7-11H2,1H3
InChIKeyDDSWXQJXRXAHMQ-UHFFFAOYSA-N
XLogP1.47
TPSA72.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[1-methyl-5-[(4-methylphenyl)methyl]pyrazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 143992830
5-[7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-piperazin-1-yl-1,2,4-oxadiazole
CID 167836571
5-benzyl-4-methyl-2-piperazin-1-ylpyrimidine;hydrochloride
CID 170986684
4-(4-benzyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)morpholine
CID 161423330
5-benzyl-2-piperazin-1-ylpyrimidine;hydron;chloride
CID 118022265
3-[4-(3-methylbutyl)piperazin-1-yl]-5-phenyl-1,2,4-oxadiazole
CID 133482061
5-(2-tert-butyl-4-methylfuran-3-yl)-3-piperazin-1-yl-1,2,4-oxadiazole
CID 167979387
1-(4-benzylphenyl)piperazine
CID 4738749
6-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 116807815
5-[(4-chloro-3-methoxyphenyl)methyl]-3-piperazin-1-yl-1,2,4-oxadiazole
CID 167848035
7-(3-piperazin-1-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 167960643
3-(4-methylphenyl)-5-[1-methyl-2-[(2-piperazin-1-yl-4-pyridinyl)methyl]imidazol-4-yl]-1,2,4-oxadiazole
CID 118326938

Frequently Asked Questions

What is the IUPAC name of 5-(5-benzyl-1-methylpyrazol-3-yl)-3-piperazin-1-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(5-benzyl-1-methylpyrazol-3-yl)-3-piperazin-1-yl-1,2,4-oxadiazole (CID 167879483) is 5-(5-benzyl-1-methylpyrazol-3-yl)-3-piperazin-1-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(5-benzyl-1-methylpyrazol-3-yl)-3-piperazin-1-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(5-benzyl-1-methylpyrazol-3-yl)-3-piperazin-1-yl-1,2,4-oxadiazole is Cn1nc(-c2nc(N3CCNCC3)no2)cc1Cc1ccccc1.
What is the InChIKey of 5-(5-benzyl-1-methylpyrazol-3-yl)-3-piperazin-1-yl-1,2,4-oxadiazole?
The InChIKey is DDSWXQJXRXAHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c1-22-14(11-13-5-3-2-4-6-13)12-15(20-22)16-19-17(21-24-16)23-9-7-18-8-10-23/h2-6,12,18H,7-11H2,1H3.
What are the key properties of 5-(5-benzyl-1-methylpyrazol-3-yl)-3-piperazin-1-yl-1,2,4-oxadiazole?
5-(5-benzyl-1-methylpyrazol-3-yl)-3-piperazin-1-yl-1,2,4-oxadiazole has a molecular weight of 324.39 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-benzyl-1-methylpyrazol-3-yl)-3-piperazin-1-yl-1,2,4-oxadiazole is sourced from PubChem (CID 167879483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).