4-[3-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

C13H10F4N4O2 — CID 167784817

IUPAC4-[3-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESO=C1CC(c2nc(-c3cncc(F)c3)no2)CN1CC(F)(F)F
InChIInChI=1S/C13H10F4N4O2/c14-9-1-7(3-18-4-9)11-19-12(23-20-11)8-2-10(22)21(5-8)6-13(15,16)17/h1,3-4,8H,2,5-6H2
InChIKeyYSINUCLRBUHCMI-UHFFFAOYSA-N
MW330.24 g/mol
LogP2.15
Rot. Bonds3

About 4-[3-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

4-[3-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (PubChem CID 167784817) has the molecular formula C13H10F4N4O2 and a molecular weight of 330.24 g/mol. Its IUPAC name is 4-[3-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[3-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
PubChem CID167784817
Molecular FormulaC13H10F4N4O2
Molecular Weight330.24 g/mol
Exact Mass330.07
IUPAC Name4-[3-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESO=C1CC(c2nc(-c3cncc(F)c3)no2)CN1CC(F)(F)F
InChIInChI=1S/C13H10F4N4O2/c14-9-1-7(3-18-4-9)11-19-12(23-20-11)8-2-10(22)21(5-8)6-13(15,16)17/h1,3-4,8H,2,5-6H2
InChIKeyYSINUCLRBUHCMI-UHFFFAOYSA-N
XLogP2.15
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.24
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 120892563
(4S)-4-[3-(2-ethylphenyl)-1,2,4-oxadiazol-5-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 125137757
4-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 86889081
(4S)-1-(furan-2-ylmethyl)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 51896258
(4S)-1-(3-fluoro-4-methylphenyl)-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
CID 41015242
(4R)-1-(4-fluorophenyl)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 41014908
(4S)-1-[(3-fluorophenyl)methyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
CID 95186482
4-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-fluorophenyl)pyrrolidin-2-one
CID 16955929
(4S)-4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 52693151
4-[(1R,2R)-2-[3-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]benzenesulfonamide
CID 130448621
1-(2-methoxyethyl)-4-[3-(5-methylpyrimidin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 127869141
4-[3-[2-(dimethylamino)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 167780543

Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The IUPAC name of 4-[3-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (CID 167784817) is 4-[3-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[3-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The canonical SMILES for 4-[3-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is O=C1CC(c2nc(-c3cncc(F)c3)no2)CN1CC(F)(F)F.
What is the InChIKey of 4-[3-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The InChIKey is YSINUCLRBUHCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F4N4O2/c14-9-1-7(3-18-4-9)11-19-12(23-20-11)8-2-10(22)21(5-8)6-13(15,16)17/h1,3-4,8H,2,5-6H2.
What are the key properties of 4-[3-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
4-[3-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one has a molecular weight of 330.24 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is sourced from PubChem (CID 167784817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).