2-ethyl-5-[[2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methyl]-1,3,4-oxadiazole

C14H18F3N5O2 — CID 128991938

IUPAC2-ethyl-5-[[2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methyl]-1,3,4-oxadiazole
SMILESCCc1nnc(CN2CCCCC2c2nnc(CC(F)(F)F)o2)o1
InChIInChI=1S/C14H18F3N5O2/c1-2-10-18-20-12(23-10)8-22-6-4-3-5-9(22)13-21-19-11(24-13)7-14(15,16)17/h9H,2-8H2,1H3
InChIKeyPGOQGDPTYYZSBJ-UHFFFAOYSA-N
MW345.33 g/mol
LogP2.85
Rot. Bonds5

About 2-ethyl-5-[[2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methyl]-1,3,4-oxadiazole

2-ethyl-5-[[2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methyl]-1,3,4-oxadiazole (PubChem CID 128991938) has the molecular formula C14H18F3N5O2 and a molecular weight of 345.33 g/mol. Its IUPAC name is 2-ethyl-5-[[2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-ethyl-5-[[2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methyl]-1,3,4-oxadiazole
PubChem CID128991938
Molecular FormulaC14H18F3N5O2
Molecular Weight345.33 g/mol
Exact Mass345.14
IUPAC Name2-ethyl-5-[[2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methyl]-1,3,4-oxadiazole
SMILESCCc1nnc(CN2CCCCC2c2nnc(CC(F)(F)F)o2)o1
InChIInChI=1S/C14H18F3N5O2/c1-2-10-18-20-12(23-10)8-22-6-4-3-5-9(22)13-21-19-11(24-13)7-14(15,16)17/h9H,2-8H2,1H3
InChIKeyPGOQGDPTYYZSBJ-UHFFFAOYSA-N
XLogP2.85
TPSA81.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.33
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-ethyl-5-[[2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methyl]-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[[2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-ethyl-5-[[2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methyl]-1,3,4-oxadiazole (CID 128991938) is 2-ethyl-5-[[2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-ethyl-5-[[2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-ethyl-5-[[2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methyl]-1,3,4-oxadiazole is CCc1nnc(CN2CCCCC2c2nnc(CC(F)(F)F)o2)o1.
What is the InChIKey of 2-ethyl-5-[[2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methyl]-1,3,4-oxadiazole?
The InChIKey is PGOQGDPTYYZSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N5O2/c1-2-10-18-20-12(23-10)8-22-6-4-3-5-9(22)13-21-19-11(24-13)7-14(15,16)17/h9H,2-8H2,1H3.
What are the key properties of 2-ethyl-5-[[2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methyl]-1,3,4-oxadiazole?
2-ethyl-5-[[2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methyl]-1,3,4-oxadiazole has a molecular weight of 345.33 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[[2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 128991938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).