5-(1,2-oxazol-3-yl)-1,3-oxazolidine-2,4-dione

C6H4N2O4 — CID 70416223

IUPAC5-(1,2-oxazol-3-yl)-1,3-oxazolidine-2,4-dione
SMILESO=C1NC(=O)C(c2ccon2)O1
InChIInChI=1S/C6H4N2O4/c9-5-4(12-6(10)7-5)3-1-2-11-8-3/h1-2,4H,(H,7,9,10)
InChIKeyHFFDGUXVNLMFCJ-UHFFFAOYSA-N
MW168.11 g/mol
LogP-0.02
Rot. Bonds1

About 5-(1,2-oxazol-3-yl)-1,3-oxazolidine-2,4-dione

5-(1,2-oxazol-3-yl)-1,3-oxazolidine-2,4-dione (PubChem CID 70416223) has the molecular formula C6H4N2O4 and a molecular weight of 168.11 g/mol. Its IUPAC name is 5-(1,2-oxazol-3-yl)-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name5-(1,2-oxazol-3-yl)-1,3-oxazolidine-2,4-dione
PubChem CID70416223
Molecular FormulaC6H4N2O4
Molecular Weight168.11 g/mol
Exact Mass168.02
IUPAC Name5-(1,2-oxazol-3-yl)-1,3-oxazolidine-2,4-dione
SMILESO=C1NC(=O)C(c2ccon2)O1
InChIInChI=1S/C6H4N2O4/c9-5-4(12-6(10)7-5)3-1-2-11-8-3/h1-2,4H,(H,7,9,10)
InChIKeyHFFDGUXVNLMFCJ-UHFFFAOYSA-N
XLogP-0.02
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.11
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1,2-oxazol-3-yl)-1,3-oxazolidine-2,4-dione?
The IUPAC name of 5-(1,2-oxazol-3-yl)-1,3-oxazolidine-2,4-dione (CID 70416223) is 5-(1,2-oxazol-3-yl)-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 5-(1,2-oxazol-3-yl)-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 5-(1,2-oxazol-3-yl)-1,3-oxazolidine-2,4-dione is O=C1NC(=O)C(c2ccon2)O1.
What is the InChIKey of 5-(1,2-oxazol-3-yl)-1,3-oxazolidine-2,4-dione?
The InChIKey is HFFDGUXVNLMFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2O4/c9-5-4(12-6(10)7-5)3-1-2-11-8-3/h1-2,4H,(H,7,9,10).
What are the key properties of 5-(1,2-oxazol-3-yl)-1,3-oxazolidine-2,4-dione?
5-(1,2-oxazol-3-yl)-1,3-oxazolidine-2,4-dione has a molecular weight of 168.11 g/mol, XLogP of -0.02, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2-oxazol-3-yl)-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 70416223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).