5-(4-ethylpiperidin-4-yl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole

C12H18F3N3O2 — CID 103472633

IUPAC5-(4-ethylpiperidin-4-yl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole
SMILESCCC1(c2nc(COCC(F)(F)F)no2)CCNCC1
InChIInChI=1S/C12H18F3N3O2/c1-2-11(3-5-16-6-4-11)10-17-9(18-20-10)7-19-8-12(13,14)15/h16H,2-8H2,1H3
InChIKeyPYZCQDJNFRPAHA-UHFFFAOYSA-N
MW293.29 g/mol
LogP2.18
Rot. Bonds5

About 5-(4-ethylpiperidin-4-yl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole

5-(4-ethylpiperidin-4-yl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole (PubChem CID 103472633) has the molecular formula C12H18F3N3O2 and a molecular weight of 293.29 g/mol. Its IUPAC name is 5-(4-ethylpiperidin-4-yl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-ethylpiperidin-4-yl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole
PubChem CID103472633
Molecular FormulaC12H18F3N3O2
Molecular Weight293.29 g/mol
Exact Mass293.14
IUPAC Name5-(4-ethylpiperidin-4-yl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole
SMILESCCC1(c2nc(COCC(F)(F)F)no2)CCNCC1
InChIInChI=1S/C12H18F3N3O2/c1-2-11(3-5-16-6-4-11)10-17-9(18-20-10)7-19-8-12(13,14)15/h16H,2-8H2,1H3
InChIKeyPYZCQDJNFRPAHA-UHFFFAOYSA-N
XLogP2.18
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylpiperidin-4-yl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(4-ethylpiperidin-4-yl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole (CID 103472633) is 5-(4-ethylpiperidin-4-yl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-ethylpiperidin-4-yl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-ethylpiperidin-4-yl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole is CCC1(c2nc(COCC(F)(F)F)no2)CCNCC1.
What is the InChIKey of 5-(4-ethylpiperidin-4-yl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole?
The InChIKey is PYZCQDJNFRPAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O2/c1-2-11(3-5-16-6-4-11)10-17-9(18-20-10)7-19-8-12(13,14)15/h16H,2-8H2,1H3.
What are the key properties of 5-(4-ethylpiperidin-4-yl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole?
5-(4-ethylpiperidin-4-yl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole has a molecular weight of 293.29 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylpiperidin-4-yl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 103472633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).