3-ethyl-5-piperidin-3-yl-1,2,4-oxadiazole

C9H15N3O — CID 19886311

IUPAC3-ethyl-5-piperidin-3-yl-1,2,4-oxadiazole
SMILESCCc1noc(C2CCCNC2)n1
InChIInChI=1S/C9H15N3O/c1-2-8-11-9(13-12-8)7-4-3-5-10-6-7/h7,10H,2-6H2,1H3
InChIKeyXXIODYOSZOJCLL-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.10
Rot. Bonds2

About 3-ethyl-5-piperidin-3-yl-1,2,4-oxadiazole

3-ethyl-5-piperidin-3-yl-1,2,4-oxadiazole (PubChem CID 19886311) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 3-ethyl-5-piperidin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-ethyl-5-piperidin-3-yl-1,2,4-oxadiazole
PubChem CID19886311
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name3-ethyl-5-piperidin-3-yl-1,2,4-oxadiazole
SMILESCCc1noc(C2CCCNC2)n1
InChIInChI=1S/C9H15N3O/c1-2-8-11-9(13-12-8)7-4-3-5-10-6-7/h7,10H,2-6H2,1H3
InChIKeyXXIODYOSZOJCLL-UHFFFAOYSA-N
XLogP1.10
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(azepan-4-yl)-3-ethyl-1,2,4-oxadiazole
CID 102548111
N-methyl-1-(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)methanamine
CID 115077717
3-(2,2-dimethylpropyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 96690532
3-(2-ethoxyethyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 106814721
N,N-diethyl-2-[5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 28526049
5-[(3R)-piperidin-3-yl]-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole
CID 104911956
5-[(3S)-piperidin-3-yl]-3-(propoxymethyl)-1,2,4-oxadiazole
CID 104911775
3-(2-phenylethyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911754
3-(cyclopentylsulfanylmethyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911863
3-[(3,5-dimethylphenyl)methyl]-5-piperidin-3-yl-1,2,4-oxadiazole
CID 62594260
3,5-di(piperidin-3-yl)-1,2,4-oxadiazole
CID 115077690
5-piperidin-3-yl-3-(thiolan-2-ylmethyl)-1,2,4-oxadiazole
CID 115080734

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-piperidin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 3-ethyl-5-piperidin-3-yl-1,2,4-oxadiazole (CID 19886311) is 3-ethyl-5-piperidin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-ethyl-5-piperidin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-ethyl-5-piperidin-3-yl-1,2,4-oxadiazole is CCc1noc(C2CCCNC2)n1.
What is the InChIKey of 3-ethyl-5-piperidin-3-yl-1,2,4-oxadiazole?
The InChIKey is XXIODYOSZOJCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-2-8-11-9(13-12-8)7-4-3-5-10-6-7/h7,10H,2-6H2,1H3.
What are the key properties of 3-ethyl-5-piperidin-3-yl-1,2,4-oxadiazole?
3-ethyl-5-piperidin-3-yl-1,2,4-oxadiazole has a molecular weight of 181.24 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-piperidin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 19886311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).