4-amino-4,5,5-trideuterio-(215N)1,2-oxazolidin-3-one

C3H6N2O2 — CID 71315103

IUPAC4-amino-4,5,5-trideuterio-(215N)1,2-oxazolidin-3-one
SMILES[2H]C1([2H])O[15NH]C(=O)C1([2H])N
InChIInChI=1S/C3H6N2O2/c4-2-1-7-5-3(2)6/h2H,1,4H2,(H,5,6)/i1D2,2D,5+1
InChIKeyDYDCUQKUCUHJBH-YJHZBZHESA-N
MW106.10 g/mol
LogP-1.62
Rot. Bonds

About 4-amino-4,5,5-trideuterio-(215N)1,2-oxazolidin-3-one

4-amino-4,5,5-trideuterio-(215N)1,2-oxazolidin-3-one (PubChem CID 71315103) has the molecular formula C3H6N2O2 and a molecular weight of 106.10 g/mol. Its IUPAC name is 4-amino-4,5,5-trideuterio-(215N)1,2-oxazolidin-3-one.

Molecular Properties

Compound Name4-amino-4,5,5-trideuterio-(215N)1,2-oxazolidin-3-one
PubChem CID71315103
Molecular FormulaC3H6N2O2
Molecular Weight106.10 g/mol
Exact Mass106.06
IUPAC Name4-amino-4,5,5-trideuterio-(215N)1,2-oxazolidin-3-one
SMILES[2H]C1([2H])O[15NH]C(=O)C1([2H])N
InChIInChI=1S/C3H6N2O2/c4-2-1-7-5-3(2)6/h2H,1,4H2,(H,5,6)/i1D2,2D,5+1
InChIKeyDYDCUQKUCUHJBH-YJHZBZHESA-N
XLogP-1.62
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.10
LogP ≤ 5-1.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-4,5,5-trideuterio-(215N)1,2-oxazolidin-3-one?
The IUPAC name of 4-amino-4,5,5-trideuterio-(215N)1,2-oxazolidin-3-one (CID 71315103) is 4-amino-4,5,5-trideuterio-(215N)1,2-oxazolidin-3-one.
What is the SMILES notation for 4-amino-4,5,5-trideuterio-(215N)1,2-oxazolidin-3-one?
The canonical SMILES for 4-amino-4,5,5-trideuterio-(215N)1,2-oxazolidin-3-one is [2H]C1([2H])O[15NH]C(=O)C1([2H])N.
What is the InChIKey of 4-amino-4,5,5-trideuterio-(215N)1,2-oxazolidin-3-one?
The InChIKey is DYDCUQKUCUHJBH-YJHZBZHESA-N. The full InChI is InChI=1S/C3H6N2O2/c4-2-1-7-5-3(2)6/h2H,1,4H2,(H,5,6)/i1D2,2D,5+1.
What are the key properties of 4-amino-4,5,5-trideuterio-(215N)1,2-oxazolidin-3-one?
4-amino-4,5,5-trideuterio-(215N)1,2-oxazolidin-3-one has a molecular weight of 106.10 g/mol, XLogP of -1.62, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4,5,5-trideuterio-(215N)1,2-oxazolidin-3-one is sourced from PubChem (CID 71315103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).