1,3-Oxazol-4-yl-(3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl)methanone;2,2,2-trifluoroacetic acid

C19H20F3N3O6 — CID 118743040

IUPAC1,3-oxazol-4-yl-(3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl)methanone;2,2,2-trifluoroacetic acid
SMILESC1CN(CCC12CC(CO2)OC3=CC=CC=N3)C(=O)C4=COC=N4.C(=O)(C(F)(F)F)O
InChIInChI=1S/C17H19N3O4.C2HF3O2/c21-16(14-11-22-12-19-14)20-7-4-17(5-8-20)9-13(10-23-17)24-15-3-1-2-6-18-15;3-2(4,5)1(6)7/h1-3,6,11-13H,4-5,7-10H2;(H,6,7)
InChIKeyFPBASTWMLHGLHC-UHFFFAOYSA-N
MW443.40 g/mol
LogP—
Rot. Bonds3

About 1,3-Oxazol-4-yl-(3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl)methanone;2,2,2-trifluoroacetic acid

1,3-Oxazol-4-yl-(3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl)methanone;2,2,2-trifluoroacetic acid (PubChem CID 118743040) has the molecular formula C19H20F3N3O6 and a molecular weight of 443.40 g/mol. Its IUPAC name is 1,3-oxazol-4-yl-(3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl)methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1,3-Oxazol-4-yl-(3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl)methanone;2,2,2-trifluoroacetic acid
PubChem CID118743040
Molecular FormulaC19H20F3N3O6
Molecular Weight443.40 g/mol
Exact Mass443.13
IUPAC Name1,3-oxazol-4-yl-(3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl)methanone;2,2,2-trifluoroacetic acid
SMILESC1CN(CCC12CC(CO2)OC3=CC=CC=N3)C(=O)C4=COC=N4.C(=O)(C(F)(F)F)O
InChIInChI=1S/C17H19N3O4.C2HF3O2/c21-16(14-11-22-12-19-14)20-7-4-17(5-8-20)9-13(10-23-17)24-15-3-1-2-6-18-15;3-2(4,5)1(6)7/h1-3,6,11-13H,4-5,7-10H2;(H,6,7)
InChIKeyFPBASTWMLHGLHC-UHFFFAOYSA-N
XLogP—
TPSA115.00 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds3
Heavy Atoms31
Complexity537

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 1,3-Oxazol-4-yl-(3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl)methanone;2,2,2-trifluoroacetic acid?
The IUPAC name of 1,3-Oxazol-4-yl-(3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl)methanone;2,2,2-trifluoroacetic acid (CID 118743040) is 1,3-oxazol-4-yl-(3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl)methanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1,3-Oxazol-4-yl-(3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl)methanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1,3-Oxazol-4-yl-(3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl)methanone;2,2,2-trifluoroacetic acid is C1CN(CCC12CC(CO2)OC3=CC=CC=N3)C(=O)C4=COC=N4.C(=O)(C(F)(F)F)O.
What is the InChIKey of 1,3-Oxazol-4-yl-(3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl)methanone;2,2,2-trifluoroacetic acid?
The InChIKey is FPBASTWMLHGLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4.C2HF3O2/c21-16(14-11-22-12-19-14)20-7-4-17(5-8-20)9-13(10-23-17)24-15-3-1-2-6-18-15;3-2(4,5)1(6)7/h1-3,6,11-13H,4-5,7-10H2;(H,6,7).
What are the key properties of 1,3-Oxazol-4-yl-(3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl)methanone;2,2,2-trifluoroacetic acid?
1,3-Oxazol-4-yl-(3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl)methanone;2,2,2-trifluoroacetic acid has a molecular weight of 443.40 g/mol, XLogP of not available, 3 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-Oxazol-4-yl-(3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl)methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118743040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).