tert-butyl 2-(1,2,4-oxadiazol-3-yl)piperazine-1-carboxylate

C11H18N4O3 — CID 175940280

IUPACtert-butyl 2-(1,2,4-oxadiazol-3-yl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCNCC1c1ncon1
InChIInChI=1S/C11H18N4O3/c1-11(2,3)18-10(16)15-5-4-12-6-8(15)9-13-7-17-14-9/h7-8,12H,4-6H2,1-3H3
InChIKeyGDZNIRGZMKAOOX-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.95
Rot. Bonds1

About tert-butyl 2-(1,2,4-oxadiazol-3-yl)piperazine-1-carboxylate

tert-butyl 2-(1,2,4-oxadiazol-3-yl)piperazine-1-carboxylate (PubChem CID 175940280) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is tert-butyl 2-(1,2,4-oxadiazol-3-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(1,2,4-oxadiazol-3-yl)piperazine-1-carboxylate
PubChem CID175940280
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Nametert-butyl 2-(1,2,4-oxadiazol-3-yl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCNCC1c1ncon1
InChIInChI=1S/C11H18N4O3/c1-11(2,3)18-10(16)15-5-4-12-6-8(15)9-13-7-17-14-9/h7-8,12H,4-6H2,1-3H3
InChIKeyGDZNIRGZMKAOOX-UHFFFAOYSA-N
XLogP0.95
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(1,2,4-oxadiazol-3-yl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 2-(1,2,4-oxadiazol-3-yl)piperazine-1-carboxylate (CID 175940280) is tert-butyl 2-(1,2,4-oxadiazol-3-yl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(1,2,4-oxadiazol-3-yl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(1,2,4-oxadiazol-3-yl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCNCC1c1ncon1.
What is the InChIKey of tert-butyl 2-(1,2,4-oxadiazol-3-yl)piperazine-1-carboxylate?
The InChIKey is GDZNIRGZMKAOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-11(2,3)18-10(16)15-5-4-12-6-8(15)9-13-7-17-14-9/h7-8,12H,4-6H2,1-3H3.
What are the key properties of tert-butyl 2-(1,2,4-oxadiazol-3-yl)piperazine-1-carboxylate?
tert-butyl 2-(1,2,4-oxadiazol-3-yl)piperazine-1-carboxylate has a molecular weight of 254.29 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(1,2,4-oxadiazol-3-yl)piperazine-1-carboxylate is sourced from PubChem (CID 175940280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).