5-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-3-oxo-2-[5-(trifluoromethyl)-2-pyridinyl]pentanenitrile

C17H11F3N4O3 — CID 86981923

IUPAC5-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-3-oxo-2-[5-(trifluoromethyl)-2-pyridinyl]pentanenitrile
SMILESN#CC(C(=O)CCc1nc(-c2ccco2)no1)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C17H11F3N4O3/c18-17(19,20)10-3-4-12(22-9-10)11(8-21)13(25)5-6-15-23-16(24-27-15)14-2-1-7-26-14/h1-4,7,9,11H,5-6H2
InChIKeyAPUJDDNESVTMJI-UHFFFAOYSA-N
MW376.29 g/mol
LogP3.55
Rot. Bonds6

About 5-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-3-oxo-2-[5-(trifluoromethyl)-2-pyridinyl]pentanenitrile

5-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-3-oxo-2-[5-(trifluoromethyl)-2-pyridinyl]pentanenitrile (PubChem CID 86981923) has the molecular formula C17H11F3N4O3 and a molecular weight of 376.29 g/mol. Its IUPAC name is 5-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-3-oxo-2-[5-(trifluoromethyl)-2-pyridinyl]pentanenitrile.

Molecular Properties

Compound Name5-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-3-oxo-2-[5-(trifluoromethyl)-2-pyridinyl]pentanenitrile
PubChem CID86981923
Molecular FormulaC17H11F3N4O3
Molecular Weight376.29 g/mol
Exact Mass376.08
IUPAC Name5-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-3-oxo-2-[5-(trifluoromethyl)-2-pyridinyl]pentanenitrile
SMILESN#CC(C(=O)CCc1nc(-c2ccco2)no1)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C17H11F3N4O3/c18-17(19,20)10-3-4-12(22-9-10)11(8-21)13(25)5-6-15-23-16(24-27-15)14-2-1-7-26-14/h1-4,7,9,11H,5-6H2
InChIKeyAPUJDDNESVTMJI-UHFFFAOYSA-N
XLogP3.55
TPSA105.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.29
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-3-oxo-2-[5-(trifluoromethyl)-2-pyridinyl]pentanenitrile?
The IUPAC name of 5-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-3-oxo-2-[5-(trifluoromethyl)-2-pyridinyl]pentanenitrile (CID 86981923) is 5-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-3-oxo-2-[5-(trifluoromethyl)-2-pyridinyl]pentanenitrile.
What is the SMILES notation for 5-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-3-oxo-2-[5-(trifluoromethyl)-2-pyridinyl]pentanenitrile?
The canonical SMILES for 5-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-3-oxo-2-[5-(trifluoromethyl)-2-pyridinyl]pentanenitrile is N#CC(C(=O)CCc1nc(-c2ccco2)no1)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of 5-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-3-oxo-2-[5-(trifluoromethyl)-2-pyridinyl]pentanenitrile?
The InChIKey is APUJDDNESVTMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N4O3/c18-17(19,20)10-3-4-12(22-9-10)11(8-21)13(25)5-6-15-23-16(24-27-15)14-2-1-7-26-14/h1-4,7,9,11H,5-6H2.
What are the key properties of 5-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-3-oxo-2-[5-(trifluoromethyl)-2-pyridinyl]pentanenitrile?
5-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-3-oxo-2-[5-(trifluoromethyl)-2-pyridinyl]pentanenitrile has a molecular weight of 376.29 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-3-oxo-2-[5-(trifluoromethyl)-2-pyridinyl]pentanenitrile is sourced from PubChem (CID 86981923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).