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

C15H17ClN4O — CID 167830642

IUPAC5-[(E)-2-(3-chloro-4-methylphenyl)ethenyl]-3-piperazin-1-yl-1,2,4-oxadiazole
SMILESCc1ccc(/C=C/c2nc(N3CCNCC3)no2)cc1Cl
InChIInChI=1S/C15H17ClN4O/c1-11-2-3-12(10-13(11)16)4-5-14-18-15(19-21-14)20-8-6-17-7-9-20/h2-5,10,17H,6-9H2,1H3/b5-4+
InChIKeyDKPIFTYXQRTYKM-SNAWJCMRSA-N
MW304.78 g/mol
LogP2.61
Rot. Bonds3

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

5-[(E)-2-(3-chloro-4-methylphenyl)ethenyl]-3-piperazin-1-yl-1,2,4-oxadiazole (PubChem CID 167830642) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is 5-[(E)-2-(3-chloro-4-methylphenyl)ethenyl]-3-piperazin-1-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(E)-2-(3-chloro-4-methylphenyl)ethenyl]-3-piperazin-1-yl-1,2,4-oxadiazole
PubChem CID167830642
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name5-[(E)-2-(3-chloro-4-methylphenyl)ethenyl]-3-piperazin-1-yl-1,2,4-oxadiazole
SMILESCc1ccc(/C=C/c2nc(N3CCNCC3)no2)cc1Cl
InChIInChI=1S/C15H17ClN4O/c1-11-2-3-12(10-13(11)16)4-5-14-18-15(19-21-14)20-8-6-17-7-9-20/h2-5,10,17H,6-9H2,1H3/b5-4+
InChIKeyDKPIFTYXQRTYKM-SNAWJCMRSA-N
XLogP2.61
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(E)-2-(3-chloro-4-methylphenyl)ethenyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120961254
1-[5-[(E)-2-(3-chloro-4-methylphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120861806
1-[5-[(E)-2-(3-chloro-4-methylphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120853913
4-[(E)-2-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)ethenyl]aniline
CID 116807331
5-[(E)-2-[4-(difluoromethoxy)-3-methoxyphenyl]ethenyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120959004
5-[(4-chloro-3-methoxyphenyl)methyl]-3-piperazin-1-yl-1,2,4-oxadiazole
CID 167848035
5-[(E)-2-(3-methoxy-4-prop-2-enoxyphenyl)ethenyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120957455
5-(2-tert-butyl-4-methylfuran-3-yl)-3-piperazin-1-yl-1,2,4-oxadiazole
CID 167979387
2-[(E)-2-(4-methylphenyl)ethenyl]-5-piperazin-1-yl-1,3,4-oxadiazole
CID 28808900
5-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120956558
7-chloro-4,6-dimethyl-2-piperazin-1-ylquinoline
CID 69237633
5-[(E)-2-(3-chloro-4-ethoxy-5-methoxyphenyl)ethenyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120961237

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(3-chloro-4-methylphenyl)ethenyl]-3-piperazin-1-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(E)-2-(3-chloro-4-methylphenyl)ethenyl]-3-piperazin-1-yl-1,2,4-oxadiazole (CID 167830642) is 5-[(E)-2-(3-chloro-4-methylphenyl)ethenyl]-3-piperazin-1-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(E)-2-(3-chloro-4-methylphenyl)ethenyl]-3-piperazin-1-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(E)-2-(3-chloro-4-methylphenyl)ethenyl]-3-piperazin-1-yl-1,2,4-oxadiazole is Cc1ccc(/C=C/c2nc(N3CCNCC3)no2)cc1Cl.
What is the InChIKey of 5-[(E)-2-(3-chloro-4-methylphenyl)ethenyl]-3-piperazin-1-yl-1,2,4-oxadiazole?
The InChIKey is DKPIFTYXQRTYKM-SNAWJCMRSA-N. The full InChI is InChI=1S/C15H17ClN4O/c1-11-2-3-12(10-13(11)16)4-5-14-18-15(19-21-14)20-8-6-17-7-9-20/h2-5,10,17H,6-9H2,1H3/b5-4+.
What are the key properties of 5-[(E)-2-(3-chloro-4-methylphenyl)ethenyl]-3-piperazin-1-yl-1,2,4-oxadiazole?
5-[(E)-2-(3-chloro-4-methylphenyl)ethenyl]-3-piperazin-1-yl-1,2,4-oxadiazole has a molecular weight of 304.78 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(3-chloro-4-methylphenyl)ethenyl]-3-piperazin-1-yl-1,2,4-oxadiazole is sourced from PubChem (CID 167830642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).