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

C16H28N4O3 — CID 71999782

IUPACtert-butyl 2-methyl-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carboxylate
SMILESCC(C)c1nc(CN2CCN(C(=O)OC(C)(C)C)C(C)C2)no1
InChIInChI=1S/C16H28N4O3/c1-11(2)14-17-13(18-23-14)10-19-7-8-20(12(3)9-19)15(21)22-16(4,5)6/h11-12H,7-10H2,1-6H3
InChIKeyMNIXMQMLUYWPMK-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.63
Rot. Bonds3

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

tert-butyl 2-methyl-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carboxylate (PubChem CID 71999782) has the molecular formula C16H28N4O3 and a molecular weight of 324.43 g/mol. Its IUPAC name is tert-butyl 2-methyl-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-methyl-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carboxylate
PubChem CID71999782
Molecular FormulaC16H28N4O3
Molecular Weight324.43 g/mol
Exact Mass324.22
IUPAC Nametert-butyl 2-methyl-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carboxylate
SMILESCC(C)c1nc(CN2CCN(C(=O)OC(C)(C)C)C(C)C2)no1
InChIInChI=1S/C16H28N4O3/c1-11(2)14-17-13(18-23-14)10-19-7-8-20(12(3)9-19)15(21)22-16(4,5)6/h11-12H,7-10H2,1-6H3
InChIKeyMNIXMQMLUYWPMK-UHFFFAOYSA-N
XLogP2.63
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-methyl-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 2-methyl-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carboxylate (CID 71999782) is tert-butyl 2-methyl-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-methyl-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 2-methyl-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carboxylate is CC(C)c1nc(CN2CCN(C(=O)OC(C)(C)C)C(C)C2)no1.
What is the InChIKey of tert-butyl 2-methyl-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carboxylate?
The InChIKey is MNIXMQMLUYWPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O3/c1-11(2)14-17-13(18-23-14)10-19-7-8-20(12(3)9-19)15(21)22-16(4,5)6/h11-12H,7-10H2,1-6H3.
What are the key properties of tert-butyl 2-methyl-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carboxylate?
tert-butyl 2-methyl-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carboxylate has a molecular weight of 324.43 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-methyl-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carboxylate is sourced from PubChem (CID 71999782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).