3-tert-butyl-4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]-1,2,4-oxadiazol-5-one

C11H16N4O4 — CID 167920960

IUPAC3-tert-butyl-4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]-1,2,4-oxadiazol-5-one
SMILESCC(C)(C)c1noc(=O)n1CC(=O)N1CCNC1=O
InChIInChI=1S/C11H16N4O4/c1-11(2,3)8-13-19-10(18)15(8)6-7(16)14-5-4-12-9(14)17/h4-6H2,1-3H3,(H,12,17)
InChIKeyKJVVKNZGWCTLNJ-UHFFFAOYSA-N
MW268.27 g/mol
LogP-0.31
Rot. Bonds2

About 3-tert-butyl-4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]-1,2,4-oxadiazol-5-one

3-tert-butyl-4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]-1,2,4-oxadiazol-5-one (PubChem CID 167920960) has the molecular formula C11H16N4O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 3-tert-butyl-4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name3-tert-butyl-4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]-1,2,4-oxadiazol-5-one
PubChem CID167920960
Molecular FormulaC11H16N4O4
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC Name3-tert-butyl-4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]-1,2,4-oxadiazol-5-one
SMILESCC(C)(C)c1noc(=O)n1CC(=O)N1CCNC1=O
InChIInChI=1S/C11H16N4O4/c1-11(2,3)8-13-19-10(18)15(8)6-7(16)14-5-4-12-9(14)17/h4-6H2,1-3H3,(H,12,17)
InChIKeyKJVVKNZGWCTLNJ-UHFFFAOYSA-N
XLogP-0.31
TPSA97.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]-1,2,4-oxadiazol-5-one?
The IUPAC name of 3-tert-butyl-4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]-1,2,4-oxadiazol-5-one (CID 167920960) is 3-tert-butyl-4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 3-tert-butyl-4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]-1,2,4-oxadiazol-5-one?
The canonical SMILES for 3-tert-butyl-4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]-1,2,4-oxadiazol-5-one is CC(C)(C)c1noc(=O)n1CC(=O)N1CCNC1=O.
What is the InChIKey of 3-tert-butyl-4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]-1,2,4-oxadiazol-5-one?
The InChIKey is KJVVKNZGWCTLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4/c1-11(2,3)8-13-19-10(18)15(8)6-7(16)14-5-4-12-9(14)17/h4-6H2,1-3H3,(H,12,17).
What are the key properties of 3-tert-butyl-4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]-1,2,4-oxadiazol-5-one?
3-tert-butyl-4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]-1,2,4-oxadiazol-5-one has a molecular weight of 268.27 g/mol, XLogP of -0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 167920960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).