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

C13H16F3N5O2 — CID 128970030

IUPAC2-methyl-5-[[2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methyl]-1,3,4-oxadiazole
SMILESCc1nnc(CN2CCCCC2c2nnc(CC(F)(F)F)o2)o1
InChIInChI=1S/C13H16F3N5O2/c1-8-17-19-11(22-8)7-21-5-3-2-4-9(21)12-20-18-10(23-12)6-13(14,15)16/h9H,2-7H2,1H3
InChIKeyLTQXKLBYUUGFIB-UHFFFAOYSA-N
MW331.30 g/mol
LogP2.59
Rot. Bonds4

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

2-methyl-5-[[2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methyl]-1,3,4-oxadiazole (PubChem CID 128970030) has the molecular formula C13H16F3N5O2 and a molecular weight of 331.30 g/mol. Its IUPAC name is 2-methyl-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-methyl-5-[[2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methyl]-1,3,4-oxadiazole
PubChem CID128970030
Molecular FormulaC13H16F3N5O2
Molecular Weight331.30 g/mol
Exact Mass331.13
IUPAC Name2-methyl-5-[[2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methyl]-1,3,4-oxadiazole
SMILESCc1nnc(CN2CCCCC2c2nnc(CC(F)(F)F)o2)o1
InChIInChI=1S/C13H16F3N5O2/c1-8-17-19-11(22-8)7-21-5-3-2-4-9(21)12-20-18-10(23-12)6-13(14,15)16/h9H,2-7H2,1H3
InChIKeyLTQXKLBYUUGFIB-UHFFFAOYSA-N
XLogP2.59
TPSA81.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.30
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-methyl-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-methyl-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-methyl-5-[[2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methyl]-1,3,4-oxadiazole (CID 128970030) is 2-methyl-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-methyl-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-methyl-5-[[2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methyl]-1,3,4-oxadiazole is Cc1nnc(CN2CCCCC2c2nnc(CC(F)(F)F)o2)o1.
What is the InChIKey of 2-methyl-5-[[2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methyl]-1,3,4-oxadiazole?
The InChIKey is LTQXKLBYUUGFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N5O2/c1-8-17-19-11(22-8)7-21-5-3-2-4-9(21)12-20-18-10(23-12)6-13(14,15)16/h9H,2-7H2,1H3.
What are the key properties of 2-methyl-5-[[2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methyl]-1,3,4-oxadiazole?
2-methyl-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 331.30 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-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 128970030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).