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

C12H20N4O3 — CID 86686046

IUPACtert-butyl 4-(5-methyl-1,2,4-oxadiazol-3-yl)piperazine-1-carboxylate
SMILESCc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)no1
InChIInChI=1S/C12H20N4O3/c1-9-13-10(14-19-9)15-5-7-16(8-6-15)11(17)18-12(2,3)4/h5-8H2,1-4H3
InChIKeyFDZFRHHKHQEPKL-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.44
Rot. Bonds1

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

tert-butyl 4-(5-methyl-1,2,4-oxadiazol-3-yl)piperazine-1-carboxylate (PubChem CID 86686046) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is tert-butyl 4-(5-methyl-1,2,4-oxadiazol-3-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(5-methyl-1,2,4-oxadiazol-3-yl)piperazine-1-carboxylate
PubChem CID86686046
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Nametert-butyl 4-(5-methyl-1,2,4-oxadiazol-3-yl)piperazine-1-carboxylate
SMILESCc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)no1
InChIInChI=1S/C12H20N4O3/c1-9-13-10(14-19-9)15-5-7-16(8-6-15)11(17)18-12(2,3)4/h5-8H2,1-4H3
InChIKeyFDZFRHHKHQEPKL-UHFFFAOYSA-N
XLogP1.44
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.44
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-methyl-1,2,4-oxadiazol-3-yl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(5-methyl-1,2,4-oxadiazol-3-yl)piperazine-1-carboxylate (CID 86686046) is tert-butyl 4-(5-methyl-1,2,4-oxadiazol-3-yl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(5-methyl-1,2,4-oxadiazol-3-yl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(5-methyl-1,2,4-oxadiazol-3-yl)piperazine-1-carboxylate is Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)no1.
What is the InChIKey of tert-butyl 4-(5-methyl-1,2,4-oxadiazol-3-yl)piperazine-1-carboxylate?
The InChIKey is FDZFRHHKHQEPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-9-13-10(14-19-9)15-5-7-16(8-6-15)11(17)18-12(2,3)4/h5-8H2,1-4H3.
What are the key properties of tert-butyl 4-(5-methyl-1,2,4-oxadiazol-3-yl)piperazine-1-carboxylate?
tert-butyl 4-(5-methyl-1,2,4-oxadiazol-3-yl)piperazine-1-carboxylate has a molecular weight of 268.32 g/mol, XLogP of 1.44, 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-methyl-1,2,4-oxadiazol-3-yl)piperazine-1-carboxylate is sourced from PubChem (CID 86686046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).