5-[(3R)-piperidin-3-yl]-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole

C10H14F3N3O2 — CID 103472776

IUPAC5-[(3R)-piperidin-3-yl]-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole
SMILESFC(F)(F)COCc1noc([C@@H]2CCCNC2)n1
InChIInChI=1S/C10H14F3N3O2/c11-10(12,13)6-17-5-8-15-9(18-16-8)7-2-1-3-14-4-7/h7,14H,1-6H2/t7-/m1/s1
InChIKeyREPXMUICFXUGIA-SSDOTTSWSA-N
MW265.23 g/mol
LogP1.62
Rot. Bonds4

About 5-[(3R)-piperidin-3-yl]-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole

5-[(3R)-piperidin-3-yl]-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole (PubChem CID 103472776) has the molecular formula C10H14F3N3O2 and a molecular weight of 265.23 g/mol. Its IUPAC name is 5-[(3R)-piperidin-3-yl]-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(3R)-piperidin-3-yl]-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole
PubChem CID103472776
Molecular FormulaC10H14F3N3O2
Molecular Weight265.23 g/mol
Exact Mass265.10
IUPAC Name5-[(3R)-piperidin-3-yl]-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole
SMILESFC(F)(F)COCc1noc([C@@H]2CCCNC2)n1
InChIInChI=1S/C10H14F3N3O2/c11-10(12,13)6-17-5-8-15-9(18-16-8)7-2-1-3-14-4-7/h7,14H,1-6H2/t7-/m1/s1
InChIKeyREPXMUICFXUGIA-SSDOTTSWSA-N
XLogP1.62
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
5-(piperidin-3-ylmethyl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole
CID 103472357
3-ethyl-5-piperidin-3-yl-1,2,4-oxadiazole
CID 19886311
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
3-(phenoxymethyl)-5-piperidin-3-yl-1,2,4-oxadiazole
CID 62717200
5-[(3S,4S)-4-methylpyrrolidin-3-yl]-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole
CID 114085836
N-methyl-1-(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)methanamine
CID 115077717
5-piperidin-3-yl-3-(thiolan-2-ylmethyl)-1,2,4-oxadiazole
CID 115080734
5-(2-pyrrolidin-3-ylethyl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole
CID 104880611
3-(cyclopentylsulfanylmethyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911863

Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-piperidin-3-yl]-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(3R)-piperidin-3-yl]-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole (CID 103472776) is 5-[(3R)-piperidin-3-yl]-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(3R)-piperidin-3-yl]-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(3R)-piperidin-3-yl]-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole is FC(F)(F)COCc1noc([C@@H]2CCCNC2)n1.
What is the InChIKey of 5-[(3R)-piperidin-3-yl]-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole?
The InChIKey is REPXMUICFXUGIA-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H14F3N3O2/c11-10(12,13)6-17-5-8-15-9(18-16-8)7-2-1-3-14-4-7/h7,14H,1-6H2/t7-/m1/s1.
What are the key properties of 5-[(3R)-piperidin-3-yl]-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole?
5-[(3R)-piperidin-3-yl]-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole has a molecular weight of 265.23 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-piperidin-3-yl]-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 103472776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).