5-(2-pyrrolidin-3-ylethyl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole

C11H16F3N3O2 — CID 104880611

IUPAC5-(2-pyrrolidin-3-ylethyl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole
SMILESFC(F)(F)COCc1noc(CCC2CCNC2)n1
InChIInChI=1S/C11H16F3N3O2/c12-11(13,14)7-18-6-9-16-10(19-17-9)2-1-8-3-4-15-5-8/h8,15H,1-7H2
InChIKeyGLYIYHPJLMQFPB-UHFFFAOYSA-N
MW279.26 g/mol
LogP1.69
Rot. Bonds6

About 5-(2-pyrrolidin-3-ylethyl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole

5-(2-pyrrolidin-3-ylethyl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole (PubChem CID 104880611) has the molecular formula C11H16F3N3O2 and a molecular weight of 279.26 g/mol. Its IUPAC name is 5-(2-pyrrolidin-3-ylethyl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-pyrrolidin-3-ylethyl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole
PubChem CID104880611
Molecular FormulaC11H16F3N3O2
Molecular Weight279.26 g/mol
Exact Mass279.12
IUPAC Name5-(2-pyrrolidin-3-ylethyl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole
SMILESFC(F)(F)COCc1noc(CCC2CCNC2)n1
InChIInChI=1S/C11H16F3N3O2/c12-11(13,14)7-18-6-9-16-10(19-17-9)2-1-8-3-4-15-5-8/h8,15H,1-7H2
InChIKeyGLYIYHPJLMQFPB-UHFFFAOYSA-N
XLogP1.69
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(piperidin-3-ylmethyl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole
CID 103472357
5-propyl-3-(2-pyrrolidin-3-ylethoxymethyl)-1,2,4-oxadiazole
CID 114796047
3-(2-methoxypropyl)-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole
CID 113391100
5-[(3R)-piperidin-3-yl]-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole
CID 103472776
3-(piperidin-4-ylmethoxymethyl)-5-propyl-1,2,4-oxadiazole
CID 55060613
O-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]hydroxylamine
CID 103472753
3-(3-methoxypentan-3-yl)-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole
CID 116741082
3-(methylsulfanylmethyl)-5-(2-piperidin-3-ylethyl)-1,2,4-oxadiazole
CID 62691493
3-[(4-fluorophenyl)methyl]-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole
CID 62216870
3-(methylsulfonylmethyl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole
CID 62475251
3-(ethylsulfanylmethyl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole
CID 65130592
N,N-diethyl-2-[5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 62216530

Frequently Asked Questions

What is the IUPAC name of 5-(2-pyrrolidin-3-ylethyl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2-pyrrolidin-3-ylethyl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole (CID 104880611) is 5-(2-pyrrolidin-3-ylethyl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-pyrrolidin-3-ylethyl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-pyrrolidin-3-ylethyl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole is FC(F)(F)COCc1noc(CCC2CCNC2)n1.
What is the InChIKey of 5-(2-pyrrolidin-3-ylethyl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole?
The InChIKey is GLYIYHPJLMQFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O2/c12-11(13,14)7-18-6-9-16-10(19-17-9)2-1-8-3-4-15-5-8/h8,15H,1-7H2.
What are the key properties of 5-(2-pyrrolidin-3-ylethyl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole?
5-(2-pyrrolidin-3-ylethyl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole has a molecular weight of 279.26 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-pyrrolidin-3-ylethyl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 104880611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).