3-methyl-1,3-oxazolidin-2-one;1,3-oxazolidin-2-one

C7H12N2O4 — CID 23176876

IUPAC3-methyl-1,3-oxazolidin-2-one;1,3-oxazolidin-2-one
SMILESCN1CCOC1=O.O=C1NCCO1
InChIInChI=1S/C4H7NO2.C3H5NO2/c1-5-2-3-7-4(5)6;5-3-4-1-2-6-3/h2-3H2,1H3;1-2H2,(H,4,5)
InChIKeyXJEKGBMZTGNQNA-UHFFFAOYSA-N
MW188.18 g/mol
LogP-0.21
Rot. Bonds

About 3-methyl-1,3-oxazolidin-2-one;1,3-oxazolidin-2-one

3-methyl-1,3-oxazolidin-2-one;1,3-oxazolidin-2-one (PubChem CID 23176876) has the molecular formula C7H12N2O4 and a molecular weight of 188.18 g/mol. Its IUPAC name is 3-methyl-1,3-oxazolidin-2-one;1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-methyl-1,3-oxazolidin-2-one;1,3-oxazolidin-2-one
PubChem CID23176876
Molecular FormulaC7H12N2O4
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC Name3-methyl-1,3-oxazolidin-2-one;1,3-oxazolidin-2-one
SMILESCN1CCOC1=O.O=C1NCCO1
InChIInChI=1S/C4H7NO2.C3H5NO2/c1-5-2-3-7-4(5)6;5-3-4-1-2-6-3/h2-3H2,1H3;1-2H2,(H,4,5)
InChIKeyXJEKGBMZTGNQNA-UHFFFAOYSA-N
XLogP-0.21
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,3-oxazolidin-2-one;1,3-oxazolidin-2-one?
The IUPAC name of 3-methyl-1,3-oxazolidin-2-one;1,3-oxazolidin-2-one (CID 23176876) is 3-methyl-1,3-oxazolidin-2-one;1,3-oxazolidin-2-one.
What is the SMILES notation for 3-methyl-1,3-oxazolidin-2-one;1,3-oxazolidin-2-one?
The canonical SMILES for 3-methyl-1,3-oxazolidin-2-one;1,3-oxazolidin-2-one is CN1CCOC1=O.O=C1NCCO1.
What is the InChIKey of 3-methyl-1,3-oxazolidin-2-one;1,3-oxazolidin-2-one?
The InChIKey is XJEKGBMZTGNQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO2.C3H5NO2/c1-5-2-3-7-4(5)6;5-3-4-1-2-6-3/h2-3H2,1H3;1-2H2,(H,4,5).
What are the key properties of 3-methyl-1,3-oxazolidin-2-one;1,3-oxazolidin-2-one?
3-methyl-1,3-oxazolidin-2-one;1,3-oxazolidin-2-one has a molecular weight of 188.18 g/mol, XLogP of -0.21, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,3-oxazolidin-2-one;1,3-oxazolidin-2-one is sourced from PubChem (CID 23176876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).