ethane;1,3-oxazolidin-5-one

C5H11NO2 — CID 143246943

IUPACethane;1,3-oxazolidin-5-one
SMILESCC.O=C1CNCO1
InChIInChI=1S/C3H5NO2.C2H6/c5-3-1-4-2-6-3;1-2/h4H,1-2H2;1-2H3
InChIKeyZRTSJKKAGMNJAI-UHFFFAOYSA-N
MW117.15 g/mol
LogP0.12
Rot. Bonds

About ethane;1,3-oxazolidin-5-one

ethane;1,3-oxazolidin-5-one (PubChem CID 143246943) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is ethane;1,3-oxazolidin-5-one.

Molecular Properties

Compound Nameethane;1,3-oxazolidin-5-one
PubChem CID143246943
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Nameethane;1,3-oxazolidin-5-one
SMILESCC.O=C1CNCO1
InChIInChI=1S/C3H5NO2.C2H6/c5-3-1-4-2-6-3;1-2/h4H,1-2H2;1-2H3
InChIKeyZRTSJKKAGMNJAI-UHFFFAOYSA-N
XLogP0.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;1,3-oxazolidin-5-one?
The IUPAC name of ethane;1,3-oxazolidin-5-one (CID 143246943) is ethane;1,3-oxazolidin-5-one.
What is the SMILES notation for ethane;1,3-oxazolidin-5-one?
The canonical SMILES for ethane;1,3-oxazolidin-5-one is CC.O=C1CNCO1.
What is the InChIKey of ethane;1,3-oxazolidin-5-one?
The InChIKey is ZRTSJKKAGMNJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NO2.C2H6/c5-3-1-4-2-6-3;1-2/h4H,1-2H2;1-2H3.
What are the key properties of ethane;1,3-oxazolidin-5-one?
ethane;1,3-oxazolidin-5-one has a molecular weight of 117.15 g/mol, XLogP of 0.12, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,3-oxazolidin-5-one is sourced from PubChem (CID 143246943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).