1-(1,3-oxazolidin-4-yl)propan-1-one

C6H11NO2 — CID 154652214

IUPAC1-(1,3-oxazolidin-4-yl)propan-1-one
SMILESCCC(=O)C1COCN1
InChIInChI=1S/C6H11NO2/c1-2-6(8)5-3-9-4-7-5/h5,7H,2-4H2,1H3
InChIKeyNQALISDVLFSCTL-UHFFFAOYSA-N
MW129.16 g/mol
LogP-0.09
Rot. Bonds2

About 1-(1,3-oxazolidin-4-yl)propan-1-one

1-(1,3-oxazolidin-4-yl)propan-1-one (PubChem CID 154652214) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 1-(1,3-oxazolidin-4-yl)propan-1-one.

Molecular Properties

Compound Name1-(1,3-oxazolidin-4-yl)propan-1-one
PubChem CID154652214
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name1-(1,3-oxazolidin-4-yl)propan-1-one
SMILESCCC(=O)C1COCN1
InChIInChI=1S/C6H11NO2/c1-2-6(8)5-3-9-4-7-5/h5,7H,2-4H2,1H3
InChIKeyNQALISDVLFSCTL-UHFFFAOYSA-N
XLogP-0.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-oxazolidin-4-yl)propan-1-one?
The IUPAC name of 1-(1,3-oxazolidin-4-yl)propan-1-one (CID 154652214) is 1-(1,3-oxazolidin-4-yl)propan-1-one.
What is the SMILES notation for 1-(1,3-oxazolidin-4-yl)propan-1-one?
The canonical SMILES for 1-(1,3-oxazolidin-4-yl)propan-1-one is CCC(=O)C1COCN1.
What is the InChIKey of 1-(1,3-oxazolidin-4-yl)propan-1-one?
The InChIKey is NQALISDVLFSCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-2-6(8)5-3-9-4-7-5/h5,7H,2-4H2,1H3.
What are the key properties of 1-(1,3-oxazolidin-4-yl)propan-1-one?
1-(1,3-oxazolidin-4-yl)propan-1-one has a molecular weight of 129.16 g/mol, XLogP of -0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-oxazolidin-4-yl)propan-1-one is sourced from PubChem (CID 154652214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).