4-thiophen-2-yl-1,3-oxazolidine-2,5-dione

C7H5NO3S — CID 13312725

IUPAC4-thiophen-2-yl-1,3-oxazolidine-2,5-dione
SMILESO=C1NC(c2cccs2)C(=O)O1
InChIInChI=1S/C7H5NO3S/c9-6-5(8-7(10)11-6)4-2-1-3-12-4/h1-3,5H,(H,8,10)
InChIKeyMNHDQIFZRXBBJW-UHFFFAOYSA-N
MW183.19 g/mol
LogP1.06
Rot. Bonds1

About 4-thiophen-2-yl-1,3-oxazolidine-2,5-dione

4-thiophen-2-yl-1,3-oxazolidine-2,5-dione (PubChem CID 13312725) has the molecular formula C7H5NO3S and a molecular weight of 183.19 g/mol. Its IUPAC name is 4-thiophen-2-yl-1,3-oxazolidine-2,5-dione.

Molecular Properties

Compound Name4-thiophen-2-yl-1,3-oxazolidine-2,5-dione
PubChem CID13312725
Molecular FormulaC7H5NO3S
Molecular Weight183.19 g/mol
Exact Mass183.00
IUPAC Name4-thiophen-2-yl-1,3-oxazolidine-2,5-dione
SMILESO=C1NC(c2cccs2)C(=O)O1
InChIInChI=1S/C7H5NO3S/c9-6-5(8-7(10)11-6)4-2-1-3-12-4/h1-3,5H,(H,8,10)
InChIKeyMNHDQIFZRXBBJW-UHFFFAOYSA-N
XLogP1.06
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.19
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-thiophen-2-yl-1,3-oxazolidine-2,5-dione?
The IUPAC name of 4-thiophen-2-yl-1,3-oxazolidine-2,5-dione (CID 13312725) is 4-thiophen-2-yl-1,3-oxazolidine-2,5-dione.
What is the SMILES notation for 4-thiophen-2-yl-1,3-oxazolidine-2,5-dione?
The canonical SMILES for 4-thiophen-2-yl-1,3-oxazolidine-2,5-dione is O=C1NC(c2cccs2)C(=O)O1.
What is the InChIKey of 4-thiophen-2-yl-1,3-oxazolidine-2,5-dione?
The InChIKey is MNHDQIFZRXBBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NO3S/c9-6-5(8-7(10)11-6)4-2-1-3-12-4/h1-3,5H,(H,8,10).
What are the key properties of 4-thiophen-2-yl-1,3-oxazolidine-2,5-dione?
4-thiophen-2-yl-1,3-oxazolidine-2,5-dione has a molecular weight of 183.19 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiophen-2-yl-1,3-oxazolidine-2,5-dione is sourced from PubChem (CID 13312725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).