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

C14H24N4O — CID 55057928

IUPAC3-(3-methylcyclohexyl)-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
SMILESCC1CCCC(c2noc(CN3CCNCC3)n2)C1
InChIInChI=1S/C14H24N4O/c1-11-3-2-4-12(9-11)14-16-13(19-17-14)10-18-7-5-15-6-8-18/h11-12,15H,2-10H2,1H3
InChIKeyVMLDCMJZTKEIOB-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.77
Rot. Bonds3

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

3-(3-methylcyclohexyl)-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole (PubChem CID 55057928) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-(3-methylcyclohexyl)-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-methylcyclohexyl)-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
PubChem CID55057928
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name3-(3-methylcyclohexyl)-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
SMILESCC1CCCC(c2noc(CN3CCNCC3)n2)C1
InChIInChI=1S/C14H24N4O/c1-11-3-2-4-12(9-11)14-16-13(19-17-14)10-18-7-5-15-6-8-18/h11-12,15H,2-10H2,1H3
InChIKeyVMLDCMJZTKEIOB-UHFFFAOYSA-N
XLogP1.77
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylcyclohexyl)-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(3-methylcyclohexyl)-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole (CID 55057928) is 3-(3-methylcyclohexyl)-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-methylcyclohexyl)-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-methylcyclohexyl)-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole is CC1CCCC(c2noc(CN3CCNCC3)n2)C1.
What is the InChIKey of 3-(3-methylcyclohexyl)-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is VMLDCMJZTKEIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-11-3-2-4-12(9-11)14-16-13(19-17-14)10-18-7-5-15-6-8-18/h11-12,15H,2-10H2,1H3.
What are the key properties of 3-(3-methylcyclohexyl)-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole?
3-(3-methylcyclohexyl)-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 264.37 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylcyclohexyl)-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 55057928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).