1,4-dioxane;1,3-oxazolidin-2-one

C7H13NO4 — CID 66870047

IUPAC1,4-dioxane;1,3-oxazolidin-2-one
SMILESC1COCCO1.O=C1NCCO1
InChIInChI=1S/C4H8O2.C3H5NO2/c1-2-6-4-3-5-1;5-3-4-1-2-6-3/h1-4H2;1-2H2,(H,4,5)
InChIKeySAXQDGXNFIPOHP-UHFFFAOYSA-N
MW175.18 g/mol
LogP-0.24
Rot. Bonds

About 1,4-dioxane;1,3-oxazolidin-2-one

1,4-dioxane;1,3-oxazolidin-2-one (PubChem CID 66870047) has the molecular formula C7H13NO4 and a molecular weight of 175.18 g/mol. Its IUPAC name is 1,4-dioxane;1,3-oxazolidin-2-one.

Molecular Properties

Compound Name1,4-dioxane;1,3-oxazolidin-2-one
PubChem CID66870047
Molecular FormulaC7H13NO4
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Name1,4-dioxane;1,3-oxazolidin-2-one
SMILESC1COCCO1.O=C1NCCO1
InChIInChI=1S/C4H8O2.C3H5NO2/c1-2-6-4-3-5-1;5-3-4-1-2-6-3/h1-4H2;1-2H2,(H,4,5)
InChIKeySAXQDGXNFIPOHP-UHFFFAOYSA-N
XLogP-0.24
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4-dioxane;1,3-oxazolidin-2-one?
The IUPAC name of 1,4-dioxane;1,3-oxazolidin-2-one (CID 66870047) is 1,4-dioxane;1,3-oxazolidin-2-one.
What is the SMILES notation for 1,4-dioxane;1,3-oxazolidin-2-one?
The canonical SMILES for 1,4-dioxane;1,3-oxazolidin-2-one is C1COCCO1.O=C1NCCO1.
What is the InChIKey of 1,4-dioxane;1,3-oxazolidin-2-one?
The InChIKey is SAXQDGXNFIPOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.C3H5NO2/c1-2-6-4-3-5-1;5-3-4-1-2-6-3/h1-4H2;1-2H2,(H,4,5).
What are the key properties of 1,4-dioxane;1,3-oxazolidin-2-one?
1,4-dioxane;1,3-oxazolidin-2-one has a molecular weight of 175.18 g/mol, XLogP of -0.24, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxane;1,3-oxazolidin-2-one is sourced from PubChem (CID 66870047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).