2-[(E)-2-(4-methylphenyl)ethenyl]-5-piperazin-1-yl-1,3,4-oxadiazole

C15H18N4O — CID 28808900

IUPAC2-[(E)-2-(4-methylphenyl)ethenyl]-5-piperazin-1-yl-1,3,4-oxadiazole
SMILESCc1ccc(/C=C/c2nnc(N3CCNCC3)o2)cc1
InChIInChI=1S/C15H18N4O/c1-12-2-4-13(5-3-12)6-7-14-17-18-15(20-14)19-10-8-16-9-11-19/h2-7,16H,8-11H2,1H3/b7-6+
InChIKeyGTBLPJPTOZSMIZ-VOTSOKGWSA-N
MW270.34 g/mol
LogP1.96
Rot. Bonds3

About 2-[(E)-2-(4-methylphenyl)ethenyl]-5-piperazin-1-yl-1,3,4-oxadiazole

2-[(E)-2-(4-methylphenyl)ethenyl]-5-piperazin-1-yl-1,3,4-oxadiazole (PubChem CID 28808900) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 2-[(E)-2-(4-methylphenyl)ethenyl]-5-piperazin-1-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(E)-2-(4-methylphenyl)ethenyl]-5-piperazin-1-yl-1,3,4-oxadiazole
PubChem CID28808900
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name2-[(E)-2-(4-methylphenyl)ethenyl]-5-piperazin-1-yl-1,3,4-oxadiazole
SMILESCc1ccc(/C=C/c2nnc(N3CCNCC3)o2)cc1
InChIInChI=1S/C15H18N4O/c1-12-2-4-13(5-3-12)6-7-14-17-18-15(20-14)19-10-8-16-9-11-19/h2-7,16H,8-11H2,1H3/b7-6+
InChIKeyGTBLPJPTOZSMIZ-VOTSOKGWSA-N
XLogP1.96
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methylphenyl)-5-piperazin-1-yl-1,3,4-oxadiazole
CID 28808850
2-(2,4-dimethylphenyl)-5-piperazin-1-yl-1,3,4-oxadiazole
CID 82483538
2-[2-(4-methylphenyl)ethenyl]-5-(tribromomethyl)-1,3,4-oxadiazole
CID 54289722
2-(4-methylphenyl)-5-(2-phenylethenyl)-1,3,4-oxadiazole
CID 3170416
2-piperazin-1-yl-5-pyridin-4-yl-1,3,4-oxadiazole
CID 28808843
5-[(E)-2-(3-chloro-4-methylphenyl)ethenyl]-3-piperazin-1-yl-1,2,4-oxadiazole
CID 167830642
2-[2-(4-methylphenyl)ethenyl]-1,3-oxazole
CID 141047162
ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 90770914
ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 91206086
5-[(4-methylphenyl)methylidene]-2-piperazin-1-yl-1,3-thiazol-4-one
CID 4126226
1-[4-methyl-5-[(E)-2-phenylethenyl]-1,2,4-triazol-3-yl]piperazine
CID 28809040
1-[3-[(E)-2-phenylethenyl]phenyl]piperazine
CID 56711809

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(4-methylphenyl)ethenyl]-5-piperazin-1-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[(E)-2-(4-methylphenyl)ethenyl]-5-piperazin-1-yl-1,3,4-oxadiazole (CID 28808900) is 2-[(E)-2-(4-methylphenyl)ethenyl]-5-piperazin-1-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(E)-2-(4-methylphenyl)ethenyl]-5-piperazin-1-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(E)-2-(4-methylphenyl)ethenyl]-5-piperazin-1-yl-1,3,4-oxadiazole is Cc1ccc(/C=C/c2nnc(N3CCNCC3)o2)cc1.
What is the InChIKey of 2-[(E)-2-(4-methylphenyl)ethenyl]-5-piperazin-1-yl-1,3,4-oxadiazole?
The InChIKey is GTBLPJPTOZSMIZ-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H18N4O/c1-12-2-4-13(5-3-12)6-7-14-17-18-15(20-14)19-10-8-16-9-11-19/h2-7,16H,8-11H2,1H3/b7-6+.
What are the key properties of 2-[(E)-2-(4-methylphenyl)ethenyl]-5-piperazin-1-yl-1,3,4-oxadiazole?
2-[(E)-2-(4-methylphenyl)ethenyl]-5-piperazin-1-yl-1,3,4-oxadiazole has a molecular weight of 270.34 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(4-methylphenyl)ethenyl]-5-piperazin-1-yl-1,3,4-oxadiazole is sourced from PubChem (CID 28808900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).