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

C9H15N3O3 — CID 54593050

IUPACtert-butyl N-[2-(1,2,4-oxadiazol-5-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCc1ncno1
InChIInChI=1S/C9H15N3O3/c1-9(2,3)14-8(13)10-5-4-7-11-6-12-15-7/h6H,4-5H2,1-3H3,(H,10,13)
InChIKeyLRKPNWASHHUMIV-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.14
Rot. Bonds3

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

tert-butyl N-[2-(1,2,4-oxadiazol-5-yl)ethyl]carbamate (PubChem CID 54593050) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is tert-butyl N-[2-(1,2,4-oxadiazol-5-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(1,2,4-oxadiazol-5-yl)ethyl]carbamate
PubChem CID54593050
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Nametert-butyl N-[2-(1,2,4-oxadiazol-5-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCc1ncno1
InChIInChI=1S/C9H15N3O3/c1-9(2,3)14-8(13)10-5-4-7-11-6-12-15-7/h6H,4-5H2,1-3H3,(H,10,13)
InChIKeyLRKPNWASHHUMIV-UHFFFAOYSA-N
XLogP1.14
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.14
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-(1,2,4-oxadiazol-5-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(1,2,4-oxadiazol-5-yl)ethyl]carbamate (CID 54593050) is tert-butyl N-[2-(1,2,4-oxadiazol-5-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(1,2,4-oxadiazol-5-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(1,2,4-oxadiazol-5-yl)ethyl]carbamate is CC(C)(C)OC(=O)NCCc1ncno1.
What is the InChIKey of tert-butyl N-[2-(1,2,4-oxadiazol-5-yl)ethyl]carbamate?
The InChIKey is LRKPNWASHHUMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-9(2,3)14-8(13)10-5-4-7-11-6-12-15-7/h6H,4-5H2,1-3H3,(H,10,13).
What are the key properties of tert-butyl N-[2-(1,2,4-oxadiazol-5-yl)ethyl]carbamate?
tert-butyl N-[2-(1,2,4-oxadiazol-5-yl)ethyl]carbamate has a molecular weight of 213.24 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(1,2,4-oxadiazol-5-yl)ethyl]carbamate is sourced from PubChem (CID 54593050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).