3-(2-methylcyclopropyl)-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole

C13H21N3O — CID 65421015

IUPAC3-(2-methylcyclopropyl)-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole
SMILESCC1CC1c1noc(CCC2CCCCN2)n1
InChIInChI=1S/C13H21N3O/c1-9-8-11(9)13-15-12(17-16-13)6-5-10-4-2-3-7-14-10/h9-11,14H,2-8H2,1H3
InChIKeyHHEOIUWFVFVWCB-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.27
Rot. Bonds4

About 3-(2-methylcyclopropyl)-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole

3-(2-methylcyclopropyl)-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole (PubChem CID 65421015) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-(2-methylcyclopropyl)-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-methylcyclopropyl)-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole
PubChem CID65421015
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3-(2-methylcyclopropyl)-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole
SMILESCC1CC1c1noc(CCC2CCCCN2)n1
InChIInChI=1S/C13H21N3O/c1-9-8-11(9)13-15-12(17-16-13)6-5-10-4-2-3-7-14-10/h9-11,14H,2-8H2,1H3
InChIKeyHHEOIUWFVFVWCB-UHFFFAOYSA-N
XLogP2.27
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopropyl-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole
CID 62216208
3-(5,6-dimethyl-1,4-dithian-2-yl)-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole
CID 103344468
3-tert-butyl-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole
CID 62216210
3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole
CID 79959987
5-(2-piperidin-2-ylethyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 55049135
3-(1-methoxy-2-methylpropyl)-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole
CID 116702796
3-(2-methoxybutan-2-yl)-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole
CID 116740295
3-(2-methylcyclopropyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104915001
3-(6-methoxypyridazin-3-yl)-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole
CID 103372842
5-(2-chloroethyl)-3-(2-methylcyclohexyl)-1,2,4-oxadiazole
CID 131071191
3-cyclopentyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole
CID 61371735
3-cycloheptyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole
CID 65389898

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylcyclopropyl)-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(2-methylcyclopropyl)-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole (CID 65421015) is 3-(2-methylcyclopropyl)-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-methylcyclopropyl)-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-methylcyclopropyl)-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole is CC1CC1c1noc(CCC2CCCCN2)n1.
What is the InChIKey of 3-(2-methylcyclopropyl)-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole?
The InChIKey is HHEOIUWFVFVWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9-8-11(9)13-15-12(17-16-13)6-5-10-4-2-3-7-14-10/h9-11,14H,2-8H2,1H3.
What are the key properties of 3-(2-methylcyclopropyl)-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole?
3-(2-methylcyclopropyl)-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole has a molecular weight of 235.33 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylcyclopropyl)-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 65421015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).