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

C10H14F3N3O3 — CID 175973167

IUPAC2-[(2R)-piperidin-2-yl]-5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazole
SMILESFC(F)(F)OCCOc1nnc([C@H]2CCCCN2)o1
InChIInChI=1S/C10H14F3N3O3/c11-10(12,13)18-6-5-17-9-16-15-8(19-9)7-3-1-2-4-14-7/h7,14H,1-6H2/t7-/m1/s1
InChIKeyPGLLRNDQBCSADS-SSDOTTSWSA-N
MW281.23 g/mol
LogP1.80
Rot. Bonds5

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

2-[(2R)-piperidin-2-yl]-5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazole (PubChem CID 175973167) has the molecular formula C10H14F3N3O3 and a molecular weight of 281.23 g/mol. Its IUPAC name is 2-[(2R)-piperidin-2-yl]-5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(2R)-piperidin-2-yl]-5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazole
PubChem CID175973167
Molecular FormulaC10H14F3N3O3
Molecular Weight281.23 g/mol
Exact Mass281.10
IUPAC Name2-[(2R)-piperidin-2-yl]-5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazole
SMILESFC(F)(F)OCCOc1nnc([C@H]2CCCCN2)o1
InChIInChI=1S/C10H14F3N3O3/c11-10(12,13)18-6-5-17-9-16-15-8(19-9)7-3-1-2-4-14-7/h7,14H,1-6H2/t7-/m1/s1
InChIKeyPGLLRNDQBCSADS-SSDOTTSWSA-N
XLogP1.80
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.23
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-piperidin-2-yl]-5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazole?
The IUPAC name of 2-[(2R)-piperidin-2-yl]-5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazole (CID 175973167) is 2-[(2R)-piperidin-2-yl]-5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(2R)-piperidin-2-yl]-5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazole?
The canonical SMILES for 2-[(2R)-piperidin-2-yl]-5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazole is FC(F)(F)OCCOc1nnc([C@H]2CCCCN2)o1.
What is the InChIKey of 2-[(2R)-piperidin-2-yl]-5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazole?
The InChIKey is PGLLRNDQBCSADS-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H14F3N3O3/c11-10(12,13)18-6-5-17-9-16-15-8(19-9)7-3-1-2-4-14-7/h7,14H,1-6H2/t7-/m1/s1.
What are the key properties of 2-[(2R)-piperidin-2-yl]-5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazole?
2-[(2R)-piperidin-2-yl]-5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazole has a molecular weight of 281.23 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-piperidin-2-yl]-5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazole is sourced from PubChem (CID 175973167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).