[1-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-3-methyl-1-oxobutan-2-yl] acetate

C12H19NO5 — CID 23555863

IUPAC[1-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-3-methyl-1-oxobutan-2-yl] acetate
SMILESCC(=O)OC(C(=O)N1C(=O)OCC1(C)C)C(C)C
InChIInChI=1S/C12H19NO5/c1-7(2)9(18-8(3)14)10(15)13-11(16)17-6-12(13,4)5/h7,9H,6H2,1-5H3
InChIKeyZOOHJQCYHAPLTP-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.33
Rot. Bonds3

About [1-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-3-methyl-1-oxobutan-2-yl] acetate

[1-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-3-methyl-1-oxobutan-2-yl] acetate (PubChem CID 23555863) has the molecular formula C12H19NO5 and a molecular weight of 257.29 g/mol. Its IUPAC name is [1-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-3-methyl-1-oxobutan-2-yl] acetate.

Molecular Properties

Compound Name[1-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-3-methyl-1-oxobutan-2-yl] acetate
PubChem CID23555863
Molecular FormulaC12H19NO5
Molecular Weight257.29 g/mol
Exact Mass257.13
IUPAC Name[1-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-3-methyl-1-oxobutan-2-yl] acetate
SMILESCC(=O)OC(C(=O)N1C(=O)OCC1(C)C)C(C)C
InChIInChI=1S/C12H19NO5/c1-7(2)9(18-8(3)14)10(15)13-11(16)17-6-12(13,4)5/h7,9H,6H2,1-5H3
InChIKeyZOOHJQCYHAPLTP-UHFFFAOYSA-N
XLogP1.33
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-3-methyl-1-oxobutan-2-yl] acetate?
The IUPAC name of [1-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-3-methyl-1-oxobutan-2-yl] acetate (CID 23555863) is [1-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-3-methyl-1-oxobutan-2-yl] acetate.
What is the SMILES notation for [1-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-3-methyl-1-oxobutan-2-yl] acetate?
The canonical SMILES for [1-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-3-methyl-1-oxobutan-2-yl] acetate is CC(=O)OC(C(=O)N1C(=O)OCC1(C)C)C(C)C.
What is the InChIKey of [1-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-3-methyl-1-oxobutan-2-yl] acetate?
The InChIKey is ZOOHJQCYHAPLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO5/c1-7(2)9(18-8(3)14)10(15)13-11(16)17-6-12(13,4)5/h7,9H,6H2,1-5H3.
What are the key properties of [1-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-3-methyl-1-oxobutan-2-yl] acetate?
[1-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-3-methyl-1-oxobutan-2-yl] acetate has a molecular weight of 257.29 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-3-methyl-1-oxobutan-2-yl] acetate is sourced from PubChem (CID 23555863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).