(2-oxo-1,3-oxazolidin-4-yl)methyl acetate

C6H9NO4 — CID 18723623

IUPAC(2-oxo-1,3-oxazolidin-4-yl)methyl acetate
SMILESCC(=O)OCC1COC(=O)N1
InChIInChI=1S/C6H9NO4/c1-4(8)10-2-5-3-11-6(9)7-5/h5H,2-3H2,1H3,(H,7,9)
InChIKeyPYGFRLHVPKAVGF-UHFFFAOYSA-N
MW159.14 g/mol
LogP-0.34
Rot. Bonds2

About (2-oxo-1,3-oxazolidin-4-yl)methyl acetate

(2-oxo-1,3-oxazolidin-4-yl)methyl acetate (PubChem CID 18723623) has the molecular formula C6H9NO4 and a molecular weight of 159.14 g/mol. Its IUPAC name is (2-oxo-1,3-oxazolidin-4-yl)methyl acetate.

Molecular Properties

Compound Name(2-oxo-1,3-oxazolidin-4-yl)methyl acetate
PubChem CID18723623
Molecular FormulaC6H9NO4
Molecular Weight159.14 g/mol
Exact Mass159.05
IUPAC Name(2-oxo-1,3-oxazolidin-4-yl)methyl acetate
SMILESCC(=O)OCC1COC(=O)N1
InChIInChI=1S/C6H9NO4/c1-4(8)10-2-5-3-11-6(9)7-5/h5H,2-3H2,1H3,(H,7,9)
InChIKeyPYGFRLHVPKAVGF-UHFFFAOYSA-N
XLogP-0.34
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.14
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-1,3-oxazolidin-4-yl)methyl acetate?
The IUPAC name of (2-oxo-1,3-oxazolidin-4-yl)methyl acetate (CID 18723623) is (2-oxo-1,3-oxazolidin-4-yl)methyl acetate.
What is the SMILES notation for (2-oxo-1,3-oxazolidin-4-yl)methyl acetate?
The canonical SMILES for (2-oxo-1,3-oxazolidin-4-yl)methyl acetate is CC(=O)OCC1COC(=O)N1.
What is the InChIKey of (2-oxo-1,3-oxazolidin-4-yl)methyl acetate?
The InChIKey is PYGFRLHVPKAVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO4/c1-4(8)10-2-5-3-11-6(9)7-5/h5H,2-3H2,1H3,(H,7,9).
What are the key properties of (2-oxo-1,3-oxazolidin-4-yl)methyl acetate?
(2-oxo-1,3-oxazolidin-4-yl)methyl acetate has a molecular weight of 159.14 g/mol, XLogP of -0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1,3-oxazolidin-4-yl)methyl acetate is sourced from PubChem (CID 18723623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).