ethyl 4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazine-1-carboxylate

C11H15F3N4O3 — CID 155980533

IUPACethyl 4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(Cc2nnc(C(F)(F)F)o2)CC1
InChIInChI=1S/C11H15F3N4O3/c1-2-20-10(19)18-5-3-17(4-6-18)7-8-15-16-9(21-8)11(12,13)14/h2-7H2,1H3
InChIKeyPWYFHVILLUIDNJ-UHFFFAOYSA-N
MW308.26 g/mol
LogP1.36
Rot. Bonds3

About ethyl 4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazine-1-carboxylate

ethyl 4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazine-1-carboxylate (PubChem CID 155980533) has the molecular formula C11H15F3N4O3 and a molecular weight of 308.26 g/mol. Its IUPAC name is ethyl 4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazine-1-carboxylate
PubChem CID155980533
Molecular FormulaC11H15F3N4O3
Molecular Weight308.26 g/mol
Exact Mass308.11
IUPAC Nameethyl 4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(Cc2nnc(C(F)(F)F)o2)CC1
InChIInChI=1S/C11H15F3N4O3/c1-2-20-10(19)18-5-3-17(4-6-18)7-8-15-16-9(21-8)11(12,13)14/h2-7H2,1H3
InChIKeyPWYFHVILLUIDNJ-UHFFFAOYSA-N
XLogP1.36
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.26
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperazine-1-carboxylate
CID 155980491
ethyl 4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazine-1-carboxylate chloride
CID 53352461
ethyl 4-(3,3,3-trifluoropropyl)piperazine-1-carboxylate
CID 171145567
N,N-dimethyl-1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidine-3-carboxamide
CID 172880763
4-[4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]benzenesulfonamide
CID 172902149
ethyl 4-[2-(4-ethoxycarbonylpiperazin-1-yl)ethyl]piperazine-1-carboxylate
CID 23424429
ethyl (3S)-1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-3-carboxylate
CID 81338403
ethyl 4-[[5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]methyl]piperazine-1-carboxylate
CID 10045540
N-tert-butyl-1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-3-carboxamide
CID 166603104
N,N-dimethyl-6-[4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]pyridazin-3-amine
CID 163349137
2-methyl-1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propan-1-one
CID 110395525
ethyl 4-carbamoylpiperazine-1-carboxylate
CID 82076471

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazine-1-carboxylate (CID 155980533) is ethyl 4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(Cc2nnc(C(F)(F)F)o2)CC1.
What is the InChIKey of ethyl 4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazine-1-carboxylate?
The InChIKey is PWYFHVILLUIDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O3/c1-2-20-10(19)18-5-3-17(4-6-18)7-8-15-16-9(21-8)11(12,13)14/h2-7H2,1H3.
What are the key properties of ethyl 4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazine-1-carboxylate?
ethyl 4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazine-1-carboxylate has a molecular weight of 308.26 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazine-1-carboxylate is sourced from PubChem (CID 155980533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).