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

C11H19N3O3 — CID 146020810

IUPACtert-butyl N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]carbamate
SMILESCC(C)c1nnc(CNC(=O)OC(C)(C)C)o1
InChIInChI=1S/C11H19N3O3/c1-7(2)9-14-13-8(16-9)6-12-10(15)17-11(3,4)5/h7H,6H2,1-5H3,(H,12,15)
InChIKeyLRJWPJKAHSTYOU-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.22
Rot. Bonds3

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

tert-butyl N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]carbamate (PubChem CID 146020810) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is tert-butyl N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]carbamate
PubChem CID146020810
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Nametert-butyl N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]carbamate
SMILESCC(C)c1nnc(CNC(=O)OC(C)(C)C)o1
InChIInChI=1S/C11H19N3O3/c1-7(2)9-14-13-8(16-9)6-12-10(15)17-11(3,4)5/h7H,6H2,1-5H3,(H,12,15)
InChIKeyLRJWPJKAHSTYOU-UHFFFAOYSA-N
XLogP2.22
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]carbamate (CID 146020810) is tert-butyl N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]carbamate is CC(C)c1nnc(CNC(=O)OC(C)(C)C)o1.
What is the InChIKey of tert-butyl N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]carbamate?
The InChIKey is LRJWPJKAHSTYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-7(2)9-14-13-8(16-9)6-12-10(15)17-11(3,4)5/h7H,6H2,1-5H3,(H,12,15).
What are the key properties of tert-butyl N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]carbamate?
tert-butyl N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]carbamate has a molecular weight of 241.29 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]carbamate is sourced from PubChem (CID 146020810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).