2-tert-butyl-4-methyl-1,2,4-oxadiazolidine-3,5-dione

C7H12N2O3 — CID 89379866

IUPAC2-tert-butyl-4-methyl-1,2,4-oxadiazolidine-3,5-dione
SMILESCn1c(=O)on(C(C)(C)C)c1=O
InChIInChI=1S/C7H12N2O3/c1-7(2,3)9-5(10)8(4)6(11)12-9/h1-4H3
InChIKeySDGNZRDGMVGDGZ-UHFFFAOYSA-N
MW172.18 g/mol
LogP-0.10
Rot. Bonds

About 2-tert-butyl-4-methyl-1,2,4-oxadiazolidine-3,5-dione

2-tert-butyl-4-methyl-1,2,4-oxadiazolidine-3,5-dione (PubChem CID 89379866) has the molecular formula C7H12N2O3 and a molecular weight of 172.18 g/mol. Its IUPAC name is 2-tert-butyl-4-methyl-1,2,4-oxadiazolidine-3,5-dione.

Molecular Properties

Compound Name2-tert-butyl-4-methyl-1,2,4-oxadiazolidine-3,5-dione
PubChem CID89379866
Molecular FormulaC7H12N2O3
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Name2-tert-butyl-4-methyl-1,2,4-oxadiazolidine-3,5-dione
SMILESCn1c(=O)on(C(C)(C)C)c1=O
InChIInChI=1S/C7H12N2O3/c1-7(2,3)9-5(10)8(4)6(11)12-9/h1-4H3
InChIKeySDGNZRDGMVGDGZ-UHFFFAOYSA-N
XLogP-0.10
TPSA57.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 5-0.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-methyl-1,2,4-oxadiazolidine-3,5-dione?
The IUPAC name of 2-tert-butyl-4-methyl-1,2,4-oxadiazolidine-3,5-dione (CID 89379866) is 2-tert-butyl-4-methyl-1,2,4-oxadiazolidine-3,5-dione.
What is the SMILES notation for 2-tert-butyl-4-methyl-1,2,4-oxadiazolidine-3,5-dione?
The canonical SMILES for 2-tert-butyl-4-methyl-1,2,4-oxadiazolidine-3,5-dione is Cn1c(=O)on(C(C)(C)C)c1=O.
What is the InChIKey of 2-tert-butyl-4-methyl-1,2,4-oxadiazolidine-3,5-dione?
The InChIKey is SDGNZRDGMVGDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3/c1-7(2,3)9-5(10)8(4)6(11)12-9/h1-4H3.
What are the key properties of 2-tert-butyl-4-methyl-1,2,4-oxadiazolidine-3,5-dione?
2-tert-butyl-4-methyl-1,2,4-oxadiazolidine-3,5-dione has a molecular weight of 172.18 g/mol, XLogP of -0.10, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-methyl-1,2,4-oxadiazolidine-3,5-dione is sourced from PubChem (CID 89379866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).