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

C15H26N4O3 — CID 67037388

IUPACtert-butyl 2-methyl-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperazine-1-carboxylate
SMILESCC(C)c1nc(N2CCN(C(=O)OC(C)(C)C)C(C)C2)no1
InChIInChI=1S/C15H26N4O3/c1-10(2)12-16-13(17-22-12)18-7-8-19(11(3)9-18)14(20)21-15(4,5)6/h10-11H,7-9H2,1-6H3
InChIKeyBXOPDEPSMDAILX-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.64
Rot. Bonds2

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

tert-butyl 2-methyl-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperazine-1-carboxylate (PubChem CID 67037388) has the molecular formula C15H26N4O3 and a molecular weight of 310.40 g/mol. Its IUPAC name is tert-butyl 2-methyl-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-methyl-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperazine-1-carboxylate
PubChem CID67037388
Molecular FormulaC15H26N4O3
Molecular Weight310.40 g/mol
Exact Mass310.20
IUPAC Nametert-butyl 2-methyl-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperazine-1-carboxylate
SMILESCC(C)c1nc(N2CCN(C(=O)OC(C)(C)C)C(C)C2)no1
InChIInChI=1S/C15H26N4O3/c1-10(2)12-16-13(17-22-12)18-7-8-19(11(3)9-18)14(20)21-15(4,5)6/h10-11H,7-9H2,1-6H3
InChIKeyBXOPDEPSMDAILX-UHFFFAOYSA-N
XLogP2.64
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.64
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)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 2-methyl-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperazine-1-carboxylate (CID 67037388) is tert-butyl 2-methyl-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-methyl-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 2-methyl-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperazine-1-carboxylate is CC(C)c1nc(N2CCN(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)piperazine-1-carboxylate?
The InChIKey is BXOPDEPSMDAILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O3/c1-10(2)12-16-13(17-22-12)18-7-8-19(11(3)9-18)14(20)21-15(4,5)6/h10-11H,7-9H2,1-6H3.
What are the key properties of tert-butyl 2-methyl-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperazine-1-carboxylate?
tert-butyl 2-methyl-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperazine-1-carboxylate has a molecular weight of 310.40 g/mol, XLogP of 2.64, 2 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)piperazine-1-carboxylate is sourced from PubChem (CID 67037388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).