(5R)-3-[5-(trifluoromethyl)pyrazin-2-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]

C14H17F3N4O — CID 150566876

IUPAC(5R)-3-[5-(trifluoromethyl)pyrazin-2-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]
SMILESFC(F)(F)c1cnc(N2CO[C@]3(CN4CCC3CC4)C2)cn1
InChIInChI=1S/C14H17F3N4O/c15-14(16,17)11-5-19-12(6-18-11)21-8-13(22-9-21)7-20-3-1-10(13)2-4-20/h5-6,10H,1-4,7-9H2/t13-/m1/s1
InChIKeyIKZYZEHJIZORSF-CYBMUJFWSA-N
MW314.31 g/mol
LogP1.75
Rot. Bonds1

About (5R)-3-[5-(trifluoromethyl)pyrazin-2-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]

(5R)-3-[5-(trifluoromethyl)pyrazin-2-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane] (PubChem CID 150566876) has the molecular formula C14H17F3N4O and a molecular weight of 314.31 g/mol. Its IUPAC name is (5R)-3-[5-(trifluoromethyl)pyrazin-2-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane].

Molecular Properties

Compound Name(5R)-3-[5-(trifluoromethyl)pyrazin-2-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]
PubChem CID150566876
Molecular FormulaC14H17F3N4O
Molecular Weight314.31 g/mol
Exact Mass314.14
IUPAC Name(5R)-3-[5-(trifluoromethyl)pyrazin-2-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]
SMILESFC(F)(F)c1cnc(N2CO[C@]3(CN4CCC3CC4)C2)cn1
InChIInChI=1S/C14H17F3N4O/c15-14(16,17)11-5-19-12(6-18-11)21-8-13(22-9-21)7-20-3-1-10(13)2-4-20/h5-6,10H,1-4,7-9H2/t13-/m1/s1
InChIKeyIKZYZEHJIZORSF-CYBMUJFWSA-N
XLogP1.75
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-[5-(trifluoromethyl)pyrazin-2-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]?
The IUPAC name of (5R)-3-[5-(trifluoromethyl)pyrazin-2-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane] (CID 150566876) is (5R)-3-[5-(trifluoromethyl)pyrazin-2-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane].
What is the SMILES notation for (5R)-3-[5-(trifluoromethyl)pyrazin-2-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]?
The canonical SMILES for (5R)-3-[5-(trifluoromethyl)pyrazin-2-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane] is FC(F)(F)c1cnc(N2CO[C@]3(CN4CCC3CC4)C2)cn1.
What is the InChIKey of (5R)-3-[5-(trifluoromethyl)pyrazin-2-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]?
The InChIKey is IKZYZEHJIZORSF-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H17F3N4O/c15-14(16,17)11-5-19-12(6-18-11)21-8-13(22-9-21)7-20-3-1-10(13)2-4-20/h5-6,10H,1-4,7-9H2/t13-/m1/s1.
What are the key properties of (5R)-3-[5-(trifluoromethyl)pyrazin-2-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]?
(5R)-3-[5-(trifluoromethyl)pyrazin-2-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane] has a molecular weight of 314.31 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[5-(trifluoromethyl)pyrazin-2-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane] is sourced from PubChem (CID 150566876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).