1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperazin-1-yl]ethanone

C9H11F3N4O2 — CID 126758393

IUPAC1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nnc(C(F)(F)F)o2)CC1
InChIInChI=1S/C9H11F3N4O2/c1-6(17)15-2-4-16(5-3-15)8-14-13-7(18-8)9(10,11)12/h2-5H2,1H3
InChIKeyPQPOFIVFLZXVLY-UHFFFAOYSA-N
MW264.21 g/mol
LogP0.76
Rot. Bonds1

About 1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperazin-1-yl]ethanone

1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperazin-1-yl]ethanone (PubChem CID 126758393) has the molecular formula C9H11F3N4O2 and a molecular weight of 264.21 g/mol. Its IUPAC name is 1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperazin-1-yl]ethanone
PubChem CID126758393
Molecular FormulaC9H11F3N4O2
Molecular Weight264.21 g/mol
Exact Mass264.08
IUPAC Name1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nnc(C(F)(F)F)o2)CC1
InChIInChI=1S/C9H11F3N4O2/c1-6(17)15-2-4-16(5-3-15)8-14-13-7(18-8)9(10,11)12/h2-5H2,1H3
InChIKeyPQPOFIVFLZXVLY-UHFFFAOYSA-N
XLogP0.76
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.21
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperazin-1-yl]ethanone with MolForge

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

Launch Full Analysis

Related Compounds

Tert-butyl 4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperazine-1-carboxylate
CID 117667972
2-(Piperazin-1-yl)-5-(trifluoromethyl)-1,3,4-oxadiazole hydrochloride
CID 117668037
2,2-Dimethyl-1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperazin-1-yl]propan-1-one
CID 126750279
1-(5-Propyl-1,3,4-oxadiazol-2-YL)-4-(2,2,2-trifluoroethyl)piperazine
CID 72909400
2-Piperazin-1-yl-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 117668038
1-Cyclopropyl-4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]piperazin-2-one
CID 128504686
1-[4-(5-Methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone
CID 110419007
N,N-dimethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxamide
CID 110419079
1-[4-(5-Ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one
CID 110603079
4-(5-Methyl-1,3,4-oxadiazol-2-yl)piperazin-1-amine
CID 118964287
2-Methyl-5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazole
CID 130723409
2-Ethyl-5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazole
CID 145588945

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperazin-1-yl]ethanone (CID 126758393) is 1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2nnc(C(F)(F)F)o2)CC1.
What is the InChIKey of 1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperazin-1-yl]ethanone?
The InChIKey is PQPOFIVFLZXVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N4O2/c1-6(17)15-2-4-16(5-3-15)8-14-13-7(18-8)9(10,11)12/h2-5H2,1H3.
What are the key properties of 1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperazin-1-yl]ethanone?
1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperazin-1-yl]ethanone has a molecular weight of 264.21 g/mol, XLogP of 0.76, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 126758393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).