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

C10H14F3N3O — CID 104911956

IUPAC5-[(3R)-piperidin-3-yl]-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole
SMILESFC(F)(F)CCc1noc([C@@H]2CCCNC2)n1
InChIInChI=1S/C10H14F3N3O/c11-10(12,13)4-3-8-15-9(17-16-8)7-2-1-5-14-6-7/h7,14H,1-6H2/t7-/m1/s1
InChIKeyIWPOBDKPVFXITD-SSDOTTSWSA-N
MW249.24 g/mol
LogP2.03
Rot. Bonds3

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

5-[(3R)-piperidin-3-yl]-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole (PubChem CID 104911956) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is 5-[(3R)-piperidin-3-yl]-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(3R)-piperidin-3-yl]-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole
PubChem CID104911956
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC Name5-[(3R)-piperidin-3-yl]-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole
SMILESFC(F)(F)CCc1noc([C@@H]2CCCNC2)n1
InChIInChI=1S/C10H14F3N3O/c11-10(12,13)4-3-8-15-9(17-16-8)7-2-1-5-14-6-7/h7,14H,1-6H2/t7-/m1/s1
InChIKeyIWPOBDKPVFXITD-SSDOTTSWSA-N
XLogP2.03
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
5-[(3R)-piperidin-3-yl]-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole
CID 103472776
5-[(2S)-pyrrolidin-2-yl]-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole
CID 104900718
N-methyl-1-(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)methanamine
CID 115077717
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
3-(2-phenylethyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911754
5-piperidin-3-yl-3-(thiolan-2-ylmethyl)-1,2,4-oxadiazole
CID 115080734
5-[(3S)-piperidin-3-yl]-3-(propoxymethyl)-1,2,4-oxadiazole
CID 104911775
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

Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-piperidin-3-yl]-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(3R)-piperidin-3-yl]-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole (CID 104911956) is 5-[(3R)-piperidin-3-yl]-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(3R)-piperidin-3-yl]-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(3R)-piperidin-3-yl]-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole is FC(F)(F)CCc1noc([C@@H]2CCCNC2)n1.
What is the InChIKey of 5-[(3R)-piperidin-3-yl]-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole?
The InChIKey is IWPOBDKPVFXITD-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H14F3N3O/c11-10(12,13)4-3-8-15-9(17-16-8)7-2-1-5-14-6-7/h7,14H,1-6H2/t7-/m1/s1.
What are the key properties of 5-[(3R)-piperidin-3-yl]-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole?
5-[(3R)-piperidin-3-yl]-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole has a molecular weight of 249.24 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-piperidin-3-yl]-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole is sourced from PubChem (CID 104911956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).