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

C13H11F3N4O3 — CID 71930746

IUPAC4-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazol-5-one
SMILESO=C1C(n2c(-c3cccnc3)noc2=O)CCN1CC(F)(F)F
InChIInChI=1S/C13H11F3N4O3/c14-13(15,16)7-19-5-3-9(11(19)21)20-10(18-23-12(20)22)8-2-1-4-17-6-8/h1-2,4,6,9H,3,5,7H2
InChIKeyIRSRLERTUGNQPF-UHFFFAOYSA-N
MW328.25 g/mol
LogP1.23
Rot. Bonds3

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

4-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazol-5-one (PubChem CID 71930746) has the molecular formula C13H11F3N4O3 and a molecular weight of 328.25 g/mol. Its IUPAC name is 4-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name4-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazol-5-one
PubChem CID71930746
Molecular FormulaC13H11F3N4O3
Molecular Weight328.25 g/mol
Exact Mass328.08
IUPAC Name4-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazol-5-one
SMILESO=C1C(n2c(-c3cccnc3)noc2=O)CCN1CC(F)(F)F
InChIInChI=1S/C13H11F3N4O3/c14-13(15,16)7-19-5-3-9(11(19)21)20-10(18-23-12(20)22)8-2-1-4-17-6-8/h1-2,4,6,9H,3,5,7H2
InChIKeyIRSRLERTUGNQPF-UHFFFAOYSA-N
XLogP1.23
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(3S)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazol-5-one
CID 97078518
4-[(3S)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-3-pyrimidin-2-yl-1,2,4-oxadiazol-5-one
CID 97084940
3-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1H-quinazoline-2,4-dione
CID 71931642
(1S,7S)-7-methyl-5-pyridin-3-yl-3,4,6,9-tetrazatricyclo[7.3.0.02,6]dodeca-2,4-dien-8-one
CID 164692146
3-[4-(4-pyridin-4-ylpyrimidin-2-yl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 163350225
3-(5-pyridin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 163351786
7-cyclopropyl-5-methyl-3-pyridin-3-yl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
CID 163315390
N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide
CID 126771353
4-(phenylmethoxymethyl)-3-pyridin-3-yl-1,2,4-oxadiazol-5-one
CID 86790507
2-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 56787394
5-pyridin-3-yl-1-(2,2,2-trifluoroethyl)triazole-4-carboxylic acid
CID 102642421
3-[4-methyl-5-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,2,4-triazol-3-yl]pyridine
CID 67959082

Frequently Asked Questions

What is the IUPAC name of 4-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazol-5-one?
The IUPAC name of 4-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazol-5-one (CID 71930746) is 4-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 4-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazol-5-one?
The canonical SMILES for 4-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazol-5-one is O=C1C(n2c(-c3cccnc3)noc2=O)CCN1CC(F)(F)F.
What is the InChIKey of 4-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazol-5-one?
The InChIKey is IRSRLERTUGNQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N4O3/c14-13(15,16)7-19-5-3-9(11(19)21)20-10(18-23-12(20)22)8-2-1-4-17-6-8/h1-2,4,6,9H,3,5,7H2.
What are the key properties of 4-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazol-5-one?
4-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazol-5-one has a molecular weight of 328.25 g/mol, XLogP of 1.23, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 71930746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).