6-ethyl-2-(1,2-oxazole-5-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one;2,2,2-trifluoroacetic acid

C15H19F3N4O5 — CID 118742216

IUPAC6-ethyl-2-(1,2-oxazole-5-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one;2,2,2-trifluoroacetic acid
SMILESCCN1CC(=O)NCC12CCN(C(=O)c1ccno1)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C13H18N4O3.C2HF3O2/c1-2-17-7-11(18)14-8-13(17)4-6-16(9-13)12(19)10-3-5-15-20-10;3-2(4,5)1(6)7/h3,5H,2,4,6-9H2,1H3,(H,14,18);(H,6,7)
InChIKeyYVVJTWSUPYLNRJ-UHFFFAOYSA-N
MW392.33 g/mol
LogP0.34
Rot. Bonds2

About 6-ethyl-2-(1,2-oxazole-5-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one;2,2,2-trifluoroacetic acid

6-ethyl-2-(1,2-oxazole-5-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one;2,2,2-trifluoroacetic acid (PubChem CID 118742216) has the molecular formula C15H19F3N4O5 and a molecular weight of 392.33 g/mol. Its IUPAC name is 6-ethyl-2-(1,2-oxazole-5-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name6-ethyl-2-(1,2-oxazole-5-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one;2,2,2-trifluoroacetic acid
PubChem CID118742216
Molecular FormulaC15H19F3N4O5
Molecular Weight392.33 g/mol
Exact Mass392.13
IUPAC Name6-ethyl-2-(1,2-oxazole-5-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one;2,2,2-trifluoroacetic acid
SMILESCCN1CC(=O)NCC12CCN(C(=O)c1ccno1)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C13H18N4O3.C2HF3O2/c1-2-17-7-11(18)14-8-13(17)4-6-16(9-13)12(19)10-3-5-15-20-10;3-2(4,5)1(6)7/h3,5H,2,4,6-9H2,1H3,(H,14,18);(H,6,7)
InChIKeyYVVJTWSUPYLNRJ-UHFFFAOYSA-N
XLogP0.34
TPSA115.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.33
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-(1,2-oxazole-5-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one;2,2,2-trifluoroacetic acid?
The IUPAC name of 6-ethyl-2-(1,2-oxazole-5-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one;2,2,2-trifluoroacetic acid (CID 118742216) is 6-ethyl-2-(1,2-oxazole-5-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 6-ethyl-2-(1,2-oxazole-5-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for 6-ethyl-2-(1,2-oxazole-5-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one;2,2,2-trifluoroacetic acid is CCN1CC(=O)NCC12CCN(C(=O)c1ccno1)C2.O=C(O)C(F)(F)F.
What is the InChIKey of 6-ethyl-2-(1,2-oxazole-5-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one;2,2,2-trifluoroacetic acid?
The InChIKey is YVVJTWSUPYLNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3.C2HF3O2/c1-2-17-7-11(18)14-8-13(17)4-6-16(9-13)12(19)10-3-5-15-20-10;3-2(4,5)1(6)7/h3,5H,2,4,6-9H2,1H3,(H,14,18);(H,6,7).
What are the key properties of 6-ethyl-2-(1,2-oxazole-5-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one;2,2,2-trifluoroacetic acid?
6-ethyl-2-(1,2-oxazole-5-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one;2,2,2-trifluoroacetic acid has a molecular weight of 392.33 g/mol, XLogP of 0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-(1,2-oxazole-5-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118742216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).