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

C11H16F3N3O2 — CID 175746199

IUPAC2-[(2R)-piperidin-2-yl]-5-[3-(trifluoromethoxy)propyl]-1,3,4-oxadiazole
SMILESFC(F)(F)OCCCc1nnc([C@H]2CCCCN2)o1
InChIInChI=1S/C11H16F3N3O2/c12-11(13,14)18-7-3-5-9-16-17-10(19-9)8-4-1-2-6-15-8/h8,15H,1-7H2/t8-/m1/s1
InChIKeyRTHGODNUKMXLFM-MRVPVSSYSA-N
MW279.26 g/mol
LogP2.35
Rot. Bonds5

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

2-[(2R)-piperidin-2-yl]-5-[3-(trifluoromethoxy)propyl]-1,3,4-oxadiazole (PubChem CID 175746199) has the molecular formula C11H16F3N3O2 and a molecular weight of 279.26 g/mol. Its IUPAC name is 2-[(2R)-piperidin-2-yl]-5-[3-(trifluoromethoxy)propyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(2R)-piperidin-2-yl]-5-[3-(trifluoromethoxy)propyl]-1,3,4-oxadiazole
PubChem CID175746199
Molecular FormulaC11H16F3N3O2
Molecular Weight279.26 g/mol
Exact Mass279.12
IUPAC Name2-[(2R)-piperidin-2-yl]-5-[3-(trifluoromethoxy)propyl]-1,3,4-oxadiazole
SMILESFC(F)(F)OCCCc1nnc([C@H]2CCCCN2)o1
InChIInChI=1S/C11H16F3N3O2/c12-11(13,14)18-7-3-5-9-16-17-10(19-9)8-4-1-2-6-15-8/h8,15H,1-7H2/t8-/m1/s1
InChIKeyRTHGODNUKMXLFM-MRVPVSSYSA-N
XLogP2.35
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[3-(trifluoromethoxy)propyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[(2R)-piperidin-2-yl]-5-[3-(trifluoromethoxy)propyl]-1,3,4-oxadiazole (CID 175746199) is 2-[(2R)-piperidin-2-yl]-5-[3-(trifluoromethoxy)propyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(2R)-piperidin-2-yl]-5-[3-(trifluoromethoxy)propyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[(2R)-piperidin-2-yl]-5-[3-(trifluoromethoxy)propyl]-1,3,4-oxadiazole is FC(F)(F)OCCCc1nnc([C@H]2CCCCN2)o1.
What is the InChIKey of 2-[(2R)-piperidin-2-yl]-5-[3-(trifluoromethoxy)propyl]-1,3,4-oxadiazole?
The InChIKey is RTHGODNUKMXLFM-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H16F3N3O2/c12-11(13,14)18-7-3-5-9-16-17-10(19-9)8-4-1-2-6-15-8/h8,15H,1-7H2/t8-/m1/s1.
What are the key properties of 2-[(2R)-piperidin-2-yl]-5-[3-(trifluoromethoxy)propyl]-1,3,4-oxadiazole?
2-[(2R)-piperidin-2-yl]-5-[3-(trifluoromethoxy)propyl]-1,3,4-oxadiazole has a molecular weight of 279.26 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-piperidin-2-yl]-5-[3-(trifluoromethoxy)propyl]-1,3,4-oxadiazole is sourced from PubChem (CID 175746199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).