4,4-dideuterio-1,3-oxazolidin-2-one

C3H5NO2 — CID 175979069

IUPAC4,4-dideuterio-1,3-oxazolidin-2-one
SMILES[2H]C1([2H])COC(=O)N1
InChIInChI=1S/C3H5NO2/c5-3-4-1-2-6-3/h1-2H2,(H,4,5)/i1D2
InChIKeyIZXIZTKNFFYFOF-DICFDUPASA-N
MW89.09 g/mol
LogP-0.27
Rot. Bonds

About 4,4-dideuterio-1,3-oxazolidin-2-one

4,4-dideuterio-1,3-oxazolidin-2-one (PubChem CID 175979069) has the molecular formula C3H5NO2 and a molecular weight of 89.09 g/mol. Its IUPAC name is 4,4-dideuterio-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4,4-dideuterio-1,3-oxazolidin-2-one
PubChem CID175979069
Molecular FormulaC3H5NO2
Molecular Weight89.09 g/mol
Exact Mass89.04
IUPAC Name4,4-dideuterio-1,3-oxazolidin-2-one
SMILES[2H]C1([2H])COC(=O)N1
InChIInChI=1S/C3H5NO2/c5-3-4-1-2-6-3/h1-2H2,(H,4,5)/i1D2
InChIKeyIZXIZTKNFFYFOF-DICFDUPASA-N
XLogP-0.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50089.09
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Oxazolidinone
CID 73949
5-Methyl-2-oxazolidinone
CID 136837
4-Methoxy-1,3-oxazolidin-2-one
CID 533641
4-Methyl-1,3-oxazolidin-2-one
CID 9855455
(S)-4-Methyloxazolidin-2-one
CID 8063308
Aminooxazolidinone
CID 22479648
(R)-5-methyloxazolidin-2-one
CID 21794662
4-(Fluoromethyl)-1,3-oxazolidin-2-one
CID 57488730
(R)-4-Methyloxazolidin-2-one
CID 2734858
Methoxyethyl urethane
CID 3281290
p-Chloro oxazolinone
CID 12032823
4-Hydroxyoxazolidin-2-one
CID 22245195

Frequently Asked Questions

What is the IUPAC name of 4,4-dideuterio-1,3-oxazolidin-2-one?
The IUPAC name of 4,4-dideuterio-1,3-oxazolidin-2-one (CID 175979069) is 4,4-dideuterio-1,3-oxazolidin-2-one.
What is the SMILES notation for 4,4-dideuterio-1,3-oxazolidin-2-one?
The canonical SMILES for 4,4-dideuterio-1,3-oxazolidin-2-one is [2H]C1([2H])COC(=O)N1.
What is the InChIKey of 4,4-dideuterio-1,3-oxazolidin-2-one?
The InChIKey is IZXIZTKNFFYFOF-DICFDUPASA-N. The full InChI is InChI=1S/C3H5NO2/c5-3-4-1-2-6-3/h1-2H2,(H,4,5)/i1D2.
What are the key properties of 4,4-dideuterio-1,3-oxazolidin-2-one?
4,4-dideuterio-1,3-oxazolidin-2-one has a molecular weight of 89.09 g/mol, XLogP of -0.27, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dideuterio-1,3-oxazolidin-2-one is sourced from PubChem (CID 175979069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).