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

C10H17N3O3 — CID 73357654

IUPACtert-butyl N-[2-(1,2,4-oxadiazol-3-yl)propan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(C)(C)c1ncon1
InChIInChI=1S/C10H17N3O3/c1-9(2,3)16-8(14)12-10(4,5)7-11-6-15-13-7/h6H,1-5H3,(H,12,14)
InChIKeyIDNDYSUDBDAUQG-UHFFFAOYSA-N
MW227.26 g/mol
LogP1.83
Rot. Bonds2

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

tert-butyl N-[2-(1,2,4-oxadiazol-3-yl)propan-2-yl]carbamate (PubChem CID 73357654) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is tert-butyl N-[2-(1,2,4-oxadiazol-3-yl)propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(1,2,4-oxadiazol-3-yl)propan-2-yl]carbamate
PubChem CID73357654
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Nametert-butyl N-[2-(1,2,4-oxadiazol-3-yl)propan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(C)(C)c1ncon1
InChIInChI=1S/C10H17N3O3/c1-9(2,3)16-8(14)12-10(4,5)7-11-6-15-13-7/h6H,1-5H3,(H,12,14)
InChIKeyIDNDYSUDBDAUQG-UHFFFAOYSA-N
XLogP1.83
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 51.83
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-3-yl)propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[2-(1,2,4-oxadiazol-3-yl)propan-2-yl]carbamate (CID 73357654) is tert-butyl N-[2-(1,2,4-oxadiazol-3-yl)propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(1,2,4-oxadiazol-3-yl)propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-(1,2,4-oxadiazol-3-yl)propan-2-yl]carbamate is CC(C)(C)OC(=O)NC(C)(C)c1ncon1.
What is the InChIKey of tert-butyl N-[2-(1,2,4-oxadiazol-3-yl)propan-2-yl]carbamate?
The InChIKey is IDNDYSUDBDAUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-9(2,3)16-8(14)12-10(4,5)7-11-6-15-13-7/h6H,1-5H3,(H,12,14).
What are the key properties of tert-butyl N-[2-(1,2,4-oxadiazol-3-yl)propan-2-yl]carbamate?
tert-butyl N-[2-(1,2,4-oxadiazol-3-yl)propan-2-yl]carbamate has a molecular weight of 227.26 g/mol, XLogP of 1.83, 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-(1,2,4-oxadiazol-3-yl)propan-2-yl]carbamate is sourced from PubChem (CID 73357654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).