5-[(2-pyridin-4-ylpyrrolidin-1-yl)methyl]-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole

C14H15F3N4O — CID 127712347

IUPAC5-[(2-pyridin-4-ylpyrrolidin-1-yl)methyl]-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole
SMILESFC(F)(F)Cc1noc(CN2CCCC2c2ccncc2)n1
InChIInChI=1S/C14H15F3N4O/c15-14(16,17)8-12-19-13(22-20-12)9-21-7-1-2-11(21)10-3-5-18-6-4-10/h3-6,11H,1-2,7-9H2
InChIKeyQHLAJGBXKSOSGH-UHFFFAOYSA-N
MW312.30 g/mol
LogP2.91
Rot. Bonds4

About 5-[(2-pyridin-4-ylpyrrolidin-1-yl)methyl]-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole

5-[(2-pyridin-4-ylpyrrolidin-1-yl)methyl]-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole (PubChem CID 127712347) has the molecular formula C14H15F3N4O and a molecular weight of 312.30 g/mol. Its IUPAC name is 5-[(2-pyridin-4-ylpyrrolidin-1-yl)methyl]-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2-pyridin-4-ylpyrrolidin-1-yl)methyl]-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole
PubChem CID127712347
Molecular FormulaC14H15F3N4O
Molecular Weight312.30 g/mol
Exact Mass312.12
IUPAC Name5-[(2-pyridin-4-ylpyrrolidin-1-yl)methyl]-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole
SMILESFC(F)(F)Cc1noc(CN2CCCC2c2ccncc2)n1
InChIInChI=1S/C14H15F3N4O/c15-14(16,17)8-12-19-13(22-20-12)9-21-7-1-2-11(21)10-3-5-18-6-4-10/h3-6,11H,1-2,7-9H2
InChIKeyQHLAJGBXKSOSGH-UHFFFAOYSA-N
XLogP2.91
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]pyridazin-3-amine
CID 154762799
5-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-3-propyl-1,2,4-oxadiazole
CID 134038787
3-butyl-5-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 134038786
5-[[(2S)-2-(4-fluorophenyl)piperidin-1-yl]methyl]-3-(methylsulfanylmethyl)-1,2,4-oxadiazole
CID 95715988
5-[[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methyl]-3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazole
CID 42929567
5-[[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole
CID 86952046
5-[[2-(3-methoxyphenyl)piperazin-1-yl]methyl]-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole
CID 167967944
[3-[[2-(4-fluorophenyl)piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120752300
3-benzyl-5-[[(2S)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 51951815
3-(phenoxymethyl)-5-[(2-pyridin-3-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 45197802
4-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]pyridine
CID 127245045
5-[[(2R)-2-(3-methoxyphenyl)piperidin-1-yl]methyl]-3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole
CID 25302716

Frequently Asked Questions

What is the IUPAC name of 5-[(2-pyridin-4-ylpyrrolidin-1-yl)methyl]-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(2-pyridin-4-ylpyrrolidin-1-yl)methyl]-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole (CID 127712347) is 5-[(2-pyridin-4-ylpyrrolidin-1-yl)methyl]-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2-pyridin-4-ylpyrrolidin-1-yl)methyl]-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2-pyridin-4-ylpyrrolidin-1-yl)methyl]-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole is FC(F)(F)Cc1noc(CN2CCCC2c2ccncc2)n1.
What is the InChIKey of 5-[(2-pyridin-4-ylpyrrolidin-1-yl)methyl]-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole?
The InChIKey is QHLAJGBXKSOSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O/c15-14(16,17)8-12-19-13(22-20-12)9-21-7-1-2-11(21)10-3-5-18-6-4-10/h3-6,11H,1-2,7-9H2.
What are the key properties of 5-[(2-pyridin-4-ylpyrrolidin-1-yl)methyl]-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole?
5-[(2-pyridin-4-ylpyrrolidin-1-yl)methyl]-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole has a molecular weight of 312.30 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-pyridin-4-ylpyrrolidin-1-yl)methyl]-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 127712347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).