2-(2,6-diazaspiro[3.3]heptan-2-yl)-1,3-oxazole;2,2,2-trifluoroacetic acid

C10H12F3N3O3 — CID 154977962

IUPAC2-(2,6-diazaspiro[3.3]heptan-2-yl)-1,3-oxazole;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1coc(N2CC3(CNC3)C2)n1
InChIInChI=1S/C8H11N3O.C2HF3O2/c1-2-12-7(10-1)11-5-8(6-11)3-9-4-8;3-2(4,5)1(6)7/h1-2,9H,3-6H2;(H,6,7)
InChIKeySOYGWWRXDBWDFP-UHFFFAOYSA-N
MW279.22 g/mol
LogP0.72
Rot. Bonds1

About 2-(2,6-diazaspiro[3.3]heptan-2-yl)-1,3-oxazole;2,2,2-trifluoroacetic acid

2-(2,6-diazaspiro[3.3]heptan-2-yl)-1,3-oxazole;2,2,2-trifluoroacetic acid (PubChem CID 154977962) has the molecular formula C10H12F3N3O3 and a molecular weight of 279.22 g/mol. Its IUPAC name is 2-(2,6-diazaspiro[3.3]heptan-2-yl)-1,3-oxazole;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-(2,6-diazaspiro[3.3]heptan-2-yl)-1,3-oxazole;2,2,2-trifluoroacetic acid
PubChem CID154977962
Molecular FormulaC10H12F3N3O3
Molecular Weight279.22 g/mol
Exact Mass279.08
IUPAC Name2-(2,6-diazaspiro[3.3]heptan-2-yl)-1,3-oxazole;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1coc(N2CC3(CNC3)C2)n1
InChIInChI=1S/C8H11N3O.C2HF3O2/c1-2-12-7(10-1)11-5-8(6-11)3-9-4-8;3-2(4,5)1(6)7/h1-2,9H,3-6H2;(H,6,7)
InChIKeySOYGWWRXDBWDFP-UHFFFAOYSA-N
XLogP0.72
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.22
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-diazaspiro[3.3]heptan-2-yl)-1,3-oxazole;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-(2,6-diazaspiro[3.3]heptan-2-yl)-1,3-oxazole;2,2,2-trifluoroacetic acid (CID 154977962) is 2-(2,6-diazaspiro[3.3]heptan-2-yl)-1,3-oxazole;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-(2,6-diazaspiro[3.3]heptan-2-yl)-1,3-oxazole;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-(2,6-diazaspiro[3.3]heptan-2-yl)-1,3-oxazole;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.c1coc(N2CC3(CNC3)C2)n1.
What is the InChIKey of 2-(2,6-diazaspiro[3.3]heptan-2-yl)-1,3-oxazole;2,2,2-trifluoroacetic acid?
The InChIKey is SOYGWWRXDBWDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O.C2HF3O2/c1-2-12-7(10-1)11-5-8(6-11)3-9-4-8;3-2(4,5)1(6)7/h1-2,9H,3-6H2;(H,6,7).
What are the key properties of 2-(2,6-diazaspiro[3.3]heptan-2-yl)-1,3-oxazole;2,2,2-trifluoroacetic acid?
2-(2,6-diazaspiro[3.3]heptan-2-yl)-1,3-oxazole;2,2,2-trifluoroacetic acid has a molecular weight of 279.22 g/mol, XLogP of 0.72, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-diazaspiro[3.3]heptan-2-yl)-1,3-oxazole;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154977962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).