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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Related Compounds

tert-butyl N-[2-[5-[(2-methylbutan-2-ylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]carbamate
CID 47077852
tert-butyl N-[2-[5-(methylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]carbamate
CID 47394418
tert-butyl N-[2-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-1-oxopropan-2-yl]carbamate
CID 53580214
tert-butyl N-(2-(5-(chloromethyl)-1,2,4-oxadiazol-3-yl)propan-2-yl)carbamate
CID 45792362
2-(5-Tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-amine
CID 43559855
2-(5-Methyl-1,2,4-oxadiazol-3-yl)propan-2-amine
CID 43559251
tert-butyl N-[1-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]carbamate
CID 84221804
N-[2-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
CID 132354160
tert-butyl N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]carbamate
CID 22969884
Tert-butyl [2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]carbamate
CID 44220389
Tert-butyl (1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl)carbamate
CID 56965655
Tert-butyl (5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamate
CID 57486677

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).