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

C13H16N4O — CID 28808850

IUPAC2-(4-methylphenyl)-5-piperazin-1-yl-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc(N3CCNCC3)o2)cc1
InChIInChI=1S/C13H16N4O/c1-10-2-4-11(5-3-10)12-15-16-13(18-12)17-8-6-14-7-9-17/h2-5,14H,6-9H2,1H3
InChIKeyHOWKSWPHMWOASA-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.45
Rot. Bonds2

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

2-(4-methylphenyl)-5-piperazin-1-yl-1,3,4-oxadiazole (PubChem CID 28808850) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 2-(4-methylphenyl)-5-piperazin-1-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-methylphenyl)-5-piperazin-1-yl-1,3,4-oxadiazole
PubChem CID28808850
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name2-(4-methylphenyl)-5-piperazin-1-yl-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc(N3CCNCC3)o2)cc1
InChIInChI=1S/C13H16N4O/c1-10-2-4-11(5-3-10)12-15-16-13(18-12)17-8-6-14-7-9-17/h2-5,14H,6-9H2,1H3
InChIKeyHOWKSWPHMWOASA-UHFFFAOYSA-N
XLogP1.45
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-piperazin-1-yl-5-pyridin-4-yl-1,3,4-oxadiazole
CID 28808843
2-(2,4-dimethylphenyl)-5-piperazin-1-yl-1,3,4-oxadiazole
CID 82483538
2-[(E)-2-(4-methylphenyl)ethenyl]-5-piperazin-1-yl-1,3,4-oxadiazole
CID 28808900
[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 53166939
N-cyclopropyl-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
CID 53166922
4-[5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]aniline
CID 28720191
2-(4-methoxyphenyl)-5-piperidin-1-yl-1,3,4-oxadiazole
CID 135040543
2-(2-methyl-4-piperazin-1-ylphenyl)-5-(4-piperazin-1-ylphenyl)-1,3,4-oxadiazole
CID 170665199
2-piperidin-1-yl-5-pyridin-4-yl-1,3,4-oxadiazole
CID 86112469
4-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]morpholine
CID 146568100
[4-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)phenyl]methanamine
CID 82483584
2-(2-phenylethyl)-5-(4-piperazin-1-ylphenyl)-1,3,4-oxadiazole
CID 59454427

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-5-piperazin-1-yl-1,3,4-oxadiazole?
The IUPAC name of 2-(4-methylphenyl)-5-piperazin-1-yl-1,3,4-oxadiazole (CID 28808850) is 2-(4-methylphenyl)-5-piperazin-1-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-methylphenyl)-5-piperazin-1-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-methylphenyl)-5-piperazin-1-yl-1,3,4-oxadiazole is Cc1ccc(-c2nnc(N3CCNCC3)o2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-5-piperazin-1-yl-1,3,4-oxadiazole?
The InChIKey is HOWKSWPHMWOASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-10-2-4-11(5-3-10)12-15-16-13(18-12)17-8-6-14-7-9-17/h2-5,14H,6-9H2,1H3.
What are the key properties of 2-(4-methylphenyl)-5-piperazin-1-yl-1,3,4-oxadiazole?
2-(4-methylphenyl)-5-piperazin-1-yl-1,3,4-oxadiazole has a molecular weight of 244.30 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-5-piperazin-1-yl-1,3,4-oxadiazole is sourced from PubChem (CID 28808850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).