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

C14H17ClN4O — CID 63342148

IUPAC5-(3-chloro-4-methylphenyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2nc(CN3CCNCC3)no2)cc1Cl
InChIInChI=1S/C14H17ClN4O/c1-10-2-3-11(8-12(10)15)14-17-13(18-20-14)9-19-6-4-16-5-7-19/h2-3,8,16H,4-7,9H2,1H3
InChIKeyWBFOKMGUUXWSRU-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.10
Rot. Bonds3

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

5-(3-chloro-4-methylphenyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole (PubChem CID 63342148) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is 5-(3-chloro-4-methylphenyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-chloro-4-methylphenyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
PubChem CID63342148
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Name5-(3-chloro-4-methylphenyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2nc(CN3CCNCC3)no2)cc1Cl
InChIInChI=1S/C14H17ClN4O/c1-10-2-3-11(8-12(10)15)14-17-13(18-20-14)9-19-6-4-16-5-7-19/h2-3,8,16H,4-7,9H2,1H3
InChIKeyWBFOKMGUUXWSRU-UHFFFAOYSA-N
XLogP2.10
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-methylphenyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(3-chloro-4-methylphenyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole (CID 63342148) is 5-(3-chloro-4-methylphenyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-chloro-4-methylphenyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-chloro-4-methylphenyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole is Cc1ccc(-c2nc(CN3CCNCC3)no2)cc1Cl.
What is the InChIKey of 5-(3-chloro-4-methylphenyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is WBFOKMGUUXWSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O/c1-10-2-3-11(8-12(10)15)14-17-13(18-20-14)9-19-6-4-16-5-7-19/h2-3,8,16H,4-7,9H2,1H3.
What are the key properties of 5-(3-chloro-4-methylphenyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole?
5-(3-chloro-4-methylphenyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 292.77 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-methylphenyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 63342148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).