1-(4-methyl-1,3-oxazolidin-3-yl)ethanone

C6H11NO2 — CID 45087395

IUPAC1-(4-methyl-1,3-oxazolidin-3-yl)ethanone
SMILESCC(=O)N1COCC1C
InChIInChI=1S/C6H11NO2/c1-5-3-9-4-7(5)6(2)8/h5H,3-4H2,1-2H3
InChIKeyPRFBRGSZUSGDJV-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.21
Rot. Bonds

About 1-(4-methyl-1,3-oxazolidin-3-yl)ethanone

1-(4-methyl-1,3-oxazolidin-3-yl)ethanone (PubChem CID 45087395) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 1-(4-methyl-1,3-oxazolidin-3-yl)ethanone.

Molecular Properties

Compound Name1-(4-methyl-1,3-oxazolidin-3-yl)ethanone
PubChem CID45087395
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name1-(4-methyl-1,3-oxazolidin-3-yl)ethanone
SMILESCC(=O)N1COCC1C
InChIInChI=1S/C6H11NO2/c1-5-3-9-4-7(5)6(2)8/h5H,3-4H2,1-2H3
InChIKeyPRFBRGSZUSGDJV-UHFFFAOYSA-N
XLogP0.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1,3-oxazolidin-3-yl)ethanone?
The IUPAC name of 1-(4-methyl-1,3-oxazolidin-3-yl)ethanone (CID 45087395) is 1-(4-methyl-1,3-oxazolidin-3-yl)ethanone.
What is the SMILES notation for 1-(4-methyl-1,3-oxazolidin-3-yl)ethanone?
The canonical SMILES for 1-(4-methyl-1,3-oxazolidin-3-yl)ethanone is CC(=O)N1COCC1C.
What is the InChIKey of 1-(4-methyl-1,3-oxazolidin-3-yl)ethanone?
The InChIKey is PRFBRGSZUSGDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-5-3-9-4-7(5)6(2)8/h5H,3-4H2,1-2H3.
What are the key properties of 1-(4-methyl-1,3-oxazolidin-3-yl)ethanone?
1-(4-methyl-1,3-oxazolidin-3-yl)ethanone has a molecular weight of 129.16 g/mol, XLogP of 0.21, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1,3-oxazolidin-3-yl)ethanone is sourced from PubChem (CID 45087395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).