5-deuterio-1,3-oxazolidine-2,4-dione

C3H3NO3 — CID 154066027

IUPAC5-deuterio-1,3-oxazolidine-2,4-dione
SMILES[2H]C1OC(=O)NC1=O
InChIInChI=1S/C3H3NO3/c5-2-1-7-3(6)4-2/h1H2,(H,4,5,6)/i1D
InChIKeyCOWNFYYYZFRNOY-MICDWDOJSA-N
MW102.07 g/mol
LogP-0.75
Rot. Bonds

About 5-deuterio-1,3-oxazolidine-2,4-dione

5-deuterio-1,3-oxazolidine-2,4-dione (PubChem CID 154066027) has the molecular formula C3H3NO3 and a molecular weight of 102.07 g/mol. Its IUPAC name is 5-deuterio-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name5-deuterio-1,3-oxazolidine-2,4-dione
PubChem CID154066027
Molecular FormulaC3H3NO3
Molecular Weight102.07 g/mol
Exact Mass102.02
IUPAC Name5-deuterio-1,3-oxazolidine-2,4-dione
SMILES[2H]C1OC(=O)NC1=O
InChIInChI=1S/C3H3NO3/c5-2-1-7-3(6)4-2/h1H2,(H,4,5,6)/i1D
InChIKeyCOWNFYYYZFRNOY-MICDWDOJSA-N
XLogP-0.75
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.07
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-deuterio-1,3-oxazolidine-2,4-dione?
The IUPAC name of 5-deuterio-1,3-oxazolidine-2,4-dione (CID 154066027) is 5-deuterio-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 5-deuterio-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 5-deuterio-1,3-oxazolidine-2,4-dione is [2H]C1OC(=O)NC1=O.
What is the InChIKey of 5-deuterio-1,3-oxazolidine-2,4-dione?
The InChIKey is COWNFYYYZFRNOY-MICDWDOJSA-N. The full InChI is InChI=1S/C3H3NO3/c5-2-1-7-3(6)4-2/h1H2,(H,4,5,6)/i1D.
What are the key properties of 5-deuterio-1,3-oxazolidine-2,4-dione?
5-deuterio-1,3-oxazolidine-2,4-dione has a molecular weight of 102.07 g/mol, XLogP of -0.75, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-deuterio-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 154066027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).