4-tert-butyl-1,3-oxazolidine-2,5-dione

C7H11NO3 — CID 15170727

IUPAC4-tert-butyl-1,3-oxazolidine-2,5-dione
SMILESCC(C)(C)C1NC(=O)OC1=O
InChIInChI=1S/C7H11NO3/c1-7(2,3)4-5(9)11-6(10)8-4/h4H,1-3H3,(H,8,10)
InChIKeyGRDXOXRGSKKLNH-UHFFFAOYSA-N
MW157.17 g/mol
LogP0.67
Rot. Bonds

About 4-tert-butyl-1,3-oxazolidine-2,5-dione

4-tert-butyl-1,3-oxazolidine-2,5-dione (PubChem CID 15170727) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 4-tert-butyl-1,3-oxazolidine-2,5-dione.

Molecular Properties

Compound Name4-tert-butyl-1,3-oxazolidine-2,5-dione
PubChem CID15170727
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name4-tert-butyl-1,3-oxazolidine-2,5-dione
SMILESCC(C)(C)C1NC(=O)OC1=O
InChIInChI=1S/C7H11NO3/c1-7(2,3)4-5(9)11-6(10)8-4/h4H,1-3H3,(H,8,10)
InChIKeyGRDXOXRGSKKLNH-UHFFFAOYSA-N
XLogP0.67
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1,3-oxazolidine-2,5-dione?
The IUPAC name of 4-tert-butyl-1,3-oxazolidine-2,5-dione (CID 15170727) is 4-tert-butyl-1,3-oxazolidine-2,5-dione.
What is the SMILES notation for 4-tert-butyl-1,3-oxazolidine-2,5-dione?
The canonical SMILES for 4-tert-butyl-1,3-oxazolidine-2,5-dione is CC(C)(C)C1NC(=O)OC1=O.
What is the InChIKey of 4-tert-butyl-1,3-oxazolidine-2,5-dione?
The InChIKey is GRDXOXRGSKKLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-7(2,3)4-5(9)11-6(10)8-4/h4H,1-3H3,(H,8,10).
What are the key properties of 4-tert-butyl-1,3-oxazolidine-2,5-dione?
4-tert-butyl-1,3-oxazolidine-2,5-dione has a molecular weight of 157.17 g/mol, XLogP of 0.67, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1,3-oxazolidine-2,5-dione is sourced from PubChem (CID 15170727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).