tert-butyl 4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)piperazine-1-carboxylate

C15H26N4O3 — CID 11992899

IUPACtert-butyl 4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2noc(C(C)(C)C)n2)CC1
InChIInChI=1S/C15H26N4O3/c1-14(2,3)11-16-12(17-22-11)18-7-9-19(10-8-18)13(20)21-15(4,5)6/h7-10H2,1-6H3
InChIKeyGBOFLIREOMGORL-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.42
Rot. Bonds1

About tert-butyl 4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)piperazine-1-carboxylate

tert-butyl 4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)piperazine-1-carboxylate (PubChem CID 11992899) has the molecular formula C15H26N4O3 and a molecular weight of 310.40 g/mol. Its IUPAC name is tert-butyl 4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)piperazine-1-carboxylate
PubChem CID11992899
Molecular FormulaC15H26N4O3
Molecular Weight310.40 g/mol
Exact Mass310.20
IUPAC Nametert-butyl 4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2noc(C(C)(C)C)n2)CC1
InChIInChI=1S/C15H26N4O3/c1-14(2,3)11-16-12(17-22-11)18-7-9-19(10-8-18)13(20)21-15(4,5)6/h7-10H2,1-6H3
InChIKeyGBOFLIREOMGORL-UHFFFAOYSA-N
XLogP2.42
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)piperazine-1-carboxylate (CID 11992899) is tert-butyl 4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(c2noc(C(C)(C)C)n2)CC1.
What is the InChIKey of tert-butyl 4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)piperazine-1-carboxylate?
The InChIKey is GBOFLIREOMGORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O3/c1-14(2,3)11-16-12(17-22-11)18-7-9-19(10-8-18)13(20)21-15(4,5)6/h7-10H2,1-6H3.
What are the key properties of tert-butyl 4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)piperazine-1-carboxylate?
tert-butyl 4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)piperazine-1-carboxylate has a molecular weight of 310.40 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)piperazine-1-carboxylate is sourced from PubChem (CID 11992899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).