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

C11H19N3O3 — CID 71113127

IUPACtert-butyl N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]carbamate
SMILESCc1nc(C(C)(C)NC(=O)OC(C)(C)C)no1
InChIInChI=1S/C11H19N3O3/c1-7-12-8(14-17-7)11(5,6)13-9(15)16-10(2,3)4/h1-6H3,(H,13,15)
InChIKeyZXCROKPMFFPYCP-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.14
Rot. Bonds2

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

tert-butyl N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]carbamate (PubChem CID 71113127) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is tert-butyl N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]carbamate
PubChem CID71113127
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Nametert-butyl N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]carbamate
SMILESCc1nc(C(C)(C)NC(=O)OC(C)(C)C)no1
InChIInChI=1S/C11H19N3O3/c1-7-12-8(14-17-7)11(5,6)13-9(15)16-10(2,3)4/h1-6H3,(H,13,15)
InChIKeyZXCROKPMFFPYCP-UHFFFAOYSA-N
XLogP2.14
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]carbamate (CID 71113127) is tert-butyl N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]carbamate is Cc1nc(C(C)(C)NC(=O)OC(C)(C)C)no1.
What is the InChIKey of tert-butyl N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]carbamate?
The InChIKey is ZXCROKPMFFPYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-7-12-8(14-17-7)11(5,6)13-9(15)16-10(2,3)4/h1-6H3,(H,13,15).
What are the key properties of tert-butyl N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]carbamate?
tert-butyl N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]carbamate has a molecular weight of 241.29 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]carbamate is sourced from PubChem (CID 71113127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).