3-[6-(2,6-diazaspiro[3.3]heptan-2-yl)-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole

C13H12F3N5O — CID 165130426

IUPAC3-[6-(2,6-diazaspiro[3.3]heptan-2-yl)-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
SMILESFC(F)(F)c1nc(-c2ccc(N3CC4(CNC4)C3)nc2)no1
InChIInChI=1S/C13H12F3N5O/c14-13(15,16)11-19-10(20-22-11)8-1-2-9(18-3-8)21-6-12(7-21)4-17-5-12/h1-3,17H,4-7H2
InChIKeyCOCGRJSSFZNOGV-UHFFFAOYSA-N
MW311.27 g/mol
LogP1.56
Rot. Bonds2

About 3-[6-(2,6-diazaspiro[3.3]heptan-2-yl)-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole

3-[6-(2,6-diazaspiro[3.3]heptan-2-yl)-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole (PubChem CID 165130426) has the molecular formula C13H12F3N5O and a molecular weight of 311.27 g/mol. Its IUPAC name is 3-[6-(2,6-diazaspiro[3.3]heptan-2-yl)-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[6-(2,6-diazaspiro[3.3]heptan-2-yl)-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
PubChem CID165130426
Molecular FormulaC13H12F3N5O
Molecular Weight311.27 g/mol
Exact Mass311.10
IUPAC Name3-[6-(2,6-diazaspiro[3.3]heptan-2-yl)-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
SMILESFC(F)(F)c1nc(-c2ccc(N3CC4(CNC4)C3)nc2)no1
InChIInChI=1S/C13H12F3N5O/c14-13(15,16)11-19-10(20-22-11)8-1-2-9(18-3-8)21-6-12(7-21)4-17-5-12/h1-3,17H,4-7H2
InChIKeyCOCGRJSSFZNOGV-UHFFFAOYSA-N
XLogP1.56
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.27
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[6-(2,6-diazaspiro[3.3]heptan-2-yl)-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole with MolForge

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Related Compounds

6-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-2,6-diazaspiro[3.3]heptane-2-carboxylic acid
CID 175784314
tert-butyl 2-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 165130455
3-[6-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole;2,2,2-trifluoroacetic acid
CID 175784176
cyclobutyl-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]methanone
CID 90491592
8-fluoro-1'-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]spiro[3,4-dihydrochromene-2,4'-piperidine]
CID 25254067
3-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazine-1-carbonyl]-1H-pyridin-2-one
CID 71780513
N-[4-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazine-1-carbonyl]phenyl]acetamide
CID 90491564
(6-methoxy-1H-indol-2-yl)-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]methanone
CID 90491605
N',N'-dimethyl-N-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]oxamide
CID 137366751
N-[2-oxo-2-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]ethyl]benzamide
CID 90491551
[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]methanone
CID 121073253
(3,4,5-triethoxyphenyl)-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]methanone
CID 121073182

Frequently Asked Questions

What is the IUPAC name of 3-[6-(2,6-diazaspiro[3.3]heptan-2-yl)-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[6-(2,6-diazaspiro[3.3]heptan-2-yl)-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole (CID 165130426) is 3-[6-(2,6-diazaspiro[3.3]heptan-2-yl)-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[6-(2,6-diazaspiro[3.3]heptan-2-yl)-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[6-(2,6-diazaspiro[3.3]heptan-2-yl)-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole is FC(F)(F)c1nc(-c2ccc(N3CC4(CNC4)C3)nc2)no1.
What is the InChIKey of 3-[6-(2,6-diazaspiro[3.3]heptan-2-yl)-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
The InChIKey is COCGRJSSFZNOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N5O/c14-13(15,16)11-19-10(20-22-11)8-1-2-9(18-3-8)21-6-12(7-21)4-17-5-12/h1-3,17H,4-7H2.
What are the key properties of 3-[6-(2,6-diazaspiro[3.3]heptan-2-yl)-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
3-[6-(2,6-diazaspiro[3.3]heptan-2-yl)-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole has a molecular weight of 311.27 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(2,6-diazaspiro[3.3]heptan-2-yl)-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 165130426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).