1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperidine-4-carboxamide

C21H18F3N5O4 — CID 46478189

IUPAC1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperidine-4-carboxamide
SMILESN#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2ccc(OCC(F)(F)F)nc2)CC1
InChIInChI=1S/C21H18F3N5O4/c22-21(23,24)12-32-17-4-3-14(11-26-17)27-18(30)13-5-7-29(8-6-13)20-15(10-25)28-19(33-20)16-2-1-9-31-16/h1-4,9,11,13H,5-8,12H2,(H,27,30)
InChIKeyWXNZHWUCNAHOLA-UHFFFAOYSA-N
MW461.40 g/mol
LogP4.00
Rot. Bonds6

About 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperidine-4-carboxamide

1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperidine-4-carboxamide (PubChem CID 46478189) has the molecular formula C21H18F3N5O4 and a molecular weight of 461.40 g/mol. Its IUPAC name is 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperidine-4-carboxamide
PubChem CID46478189
Molecular FormulaC21H18F3N5O4
Molecular Weight461.40 g/mol
Exact Mass461.13
IUPAC Name1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperidine-4-carboxamide
SMILESN#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2ccc(OCC(F)(F)F)nc2)CC1
InChIInChI=1S/C21H18F3N5O4/c22-21(23,24)12-32-17-4-3-14(11-26-17)27-18(30)13-5-7-29(8-6-13)20-15(10-25)28-19(33-20)16-2-1-9-31-16/h1-4,9,11,13H,5-8,12H2,(H,27,30)
InChIKeyWXNZHWUCNAHOLA-UHFFFAOYSA-N
XLogP4.00
TPSA117.42 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.40
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperidine-4-carboxamide (CID 46478189) is 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperidine-4-carboxamide is N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2ccc(OCC(F)(F)F)nc2)CC1.
What is the InChIKey of 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperidine-4-carboxamide?
The InChIKey is WXNZHWUCNAHOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N5O4/c22-21(23,24)12-32-17-4-3-14(11-26-17)27-18(30)13-5-7-29(8-6-13)20-15(10-25)28-19(33-20)16-2-1-9-31-16/h1-4,9,11,13H,5-8,12H2,(H,27,30).
What are the key properties of 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperidine-4-carboxamide?
1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperidine-4-carboxamide has a molecular weight of 461.40 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 46478189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).