[1-[5-(furan-2-yl)-1,3-oxazol-2-yl]-1-oxo-4-piperidin-4-ylbutan-2-yl] 2,2,2-trifluoroacetate

C18H19F3N2O5 — CID 140535871

IUPAC[1-[5-(furan-2-yl)-1,3-oxazol-2-yl]-1-oxo-4-piperidin-4-ylbutan-2-yl] 2,2,2-trifluoroacetate
SMILESO=C(c1ncc(-c2ccco2)o1)C(CCC1CCNCC1)OC(=O)C(F)(F)F
InChIInChI=1S/C18H19F3N2O5/c19-18(20,21)17(25)28-13(4-3-11-5-7-22-8-6-11)15(24)16-23-10-14(27-16)12-2-1-9-26-12/h1-2,9-11,13,22H,3-8H2
InChIKeyAYPLKFAVYQTSRA-UHFFFAOYSA-N
MW400.35 g/mol
LogP3.37
Rot. Bonds7

About [1-[5-(furan-2-yl)-1,3-oxazol-2-yl]-1-oxo-4-piperidin-4-ylbutan-2-yl] 2,2,2-trifluoroacetate

[1-[5-(furan-2-yl)-1,3-oxazol-2-yl]-1-oxo-4-piperidin-4-ylbutan-2-yl] 2,2,2-trifluoroacetate (PubChem CID 140535871) has the molecular formula C18H19F3N2O5 and a molecular weight of 400.35 g/mol. Its IUPAC name is [1-[5-(furan-2-yl)-1,3-oxazol-2-yl]-1-oxo-4-piperidin-4-ylbutan-2-yl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[1-[5-(furan-2-yl)-1,3-oxazol-2-yl]-1-oxo-4-piperidin-4-ylbutan-2-yl] 2,2,2-trifluoroacetate
PubChem CID140535871
Molecular FormulaC18H19F3N2O5
Molecular Weight400.35 g/mol
Exact Mass400.12
IUPAC Name[1-[5-(furan-2-yl)-1,3-oxazol-2-yl]-1-oxo-4-piperidin-4-ylbutan-2-yl] 2,2,2-trifluoroacetate
SMILESO=C(c1ncc(-c2ccco2)o1)C(CCC1CCNCC1)OC(=O)C(F)(F)F
InChIInChI=1S/C18H19F3N2O5/c19-18(20,21)17(25)28-13(4-3-11-5-7-22-8-6-11)15(24)16-23-10-14(27-16)12-2-1-9-26-12/h1-2,9-11,13,22H,3-8H2
InChIKeyAYPLKFAVYQTSRA-UHFFFAOYSA-N
XLogP3.37
TPSA94.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.35
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-[5-(furan-2-yl)-1,3-oxazol-2-yl]-1-oxo-4-piperidin-4-ylbutan-2-yl] 2,2,2-trifluoroacetate?
The IUPAC name of [1-[5-(furan-2-yl)-1,3-oxazol-2-yl]-1-oxo-4-piperidin-4-ylbutan-2-yl] 2,2,2-trifluoroacetate (CID 140535871) is [1-[5-(furan-2-yl)-1,3-oxazol-2-yl]-1-oxo-4-piperidin-4-ylbutan-2-yl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [1-[5-(furan-2-yl)-1,3-oxazol-2-yl]-1-oxo-4-piperidin-4-ylbutan-2-yl] 2,2,2-trifluoroacetate?
The canonical SMILES for [1-[5-(furan-2-yl)-1,3-oxazol-2-yl]-1-oxo-4-piperidin-4-ylbutan-2-yl] 2,2,2-trifluoroacetate is O=C(c1ncc(-c2ccco2)o1)C(CCC1CCNCC1)OC(=O)C(F)(F)F.
What is the InChIKey of [1-[5-(furan-2-yl)-1,3-oxazol-2-yl]-1-oxo-4-piperidin-4-ylbutan-2-yl] 2,2,2-trifluoroacetate?
The InChIKey is AYPLKFAVYQTSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O5/c19-18(20,21)17(25)28-13(4-3-11-5-7-22-8-6-11)15(24)16-23-10-14(27-16)12-2-1-9-26-12/h1-2,9-11,13,22H,3-8H2.
What are the key properties of [1-[5-(furan-2-yl)-1,3-oxazol-2-yl]-1-oxo-4-piperidin-4-ylbutan-2-yl] 2,2,2-trifluoroacetate?
[1-[5-(furan-2-yl)-1,3-oxazol-2-yl]-1-oxo-4-piperidin-4-ylbutan-2-yl] 2,2,2-trifluoroacetate has a molecular weight of 400.35 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(furan-2-yl)-1,3-oxazol-2-yl]-1-oxo-4-piperidin-4-ylbutan-2-yl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 140535871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).