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

C15H26N4O — CID 65402843

IUPAC3-(3-ethylcyclohexyl)-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
SMILESCCC1CCCC(c2noc(CN3CCNCC3)n2)C1
InChIInChI=1S/C15H26N4O/c1-2-12-4-3-5-13(10-12)15-17-14(20-18-15)11-19-8-6-16-7-9-19/h12-13,16H,2-11H2,1H3
InChIKeyDTDZCXVENXSLCX-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.16
Rot. Bonds4

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

3-(3-ethylcyclohexyl)-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole (PubChem CID 65402843) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-(3-ethylcyclohexyl)-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-ethylcyclohexyl)-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
PubChem CID65402843
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name3-(3-ethylcyclohexyl)-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
SMILESCCC1CCCC(c2noc(CN3CCNCC3)n2)C1
InChIInChI=1S/C15H26N4O/c1-2-12-4-3-5-13(10-12)15-17-14(20-18-15)11-19-8-6-16-7-9-19/h12-13,16H,2-11H2,1H3
InChIKeyDTDZCXVENXSLCX-UHFFFAOYSA-N
XLogP2.16
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-methylcyclohexyl)-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
CID 55057928
5-(1,4-diazepan-1-ylmethyl)-3-(3-methylcyclopentyl)-1,2,4-oxadiazole
CID 65402651
N-[[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]butan-2-amine
CID 65401010
5-(azetidin-3-yl)-3-(3-ethylcyclohexyl)-1,2,4-oxadiazole
CID 79316096
1-cyclopropyl-2-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 65414668
1-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 65414269
N-[[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-yn-1-amine
CID 79273730
3-cyclopropyl-5-[(4-ethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 47022082
N-[[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 65401412
3-(3-ethylcyclohexyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 107070952
(1R)-1-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104899805
1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine
CID 43556639

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylcyclohexyl)-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(3-ethylcyclohexyl)-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole (CID 65402843) is 3-(3-ethylcyclohexyl)-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-ethylcyclohexyl)-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-ethylcyclohexyl)-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole is CCC1CCCC(c2noc(CN3CCNCC3)n2)C1.
What is the InChIKey of 3-(3-ethylcyclohexyl)-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is DTDZCXVENXSLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-2-12-4-3-5-13(10-12)15-17-14(20-18-15)11-19-8-6-16-7-9-19/h12-13,16H,2-11H2,1H3.
What are the key properties of 3-(3-ethylcyclohexyl)-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole?
3-(3-ethylcyclohexyl)-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 278.40 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylcyclohexyl)-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 65402843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).