3-octanoyl-1,3-oxazolidin-2-one

C11H19NO3 — CID 10198249

IUPAC3-octanoyl-1,3-oxazolidin-2-one
SMILESCCCCCCCC(=O)N1CCOC1=O
InChIInChI=1S/C11H19NO3/c1-2-3-4-5-6-7-10(13)12-8-9-15-11(12)14/h2-9H2,1H3
InChIKeyPCHUKZUSMRNCOP-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.33
Rot. Bonds6

About 3-octanoyl-1,3-oxazolidin-2-one

3-octanoyl-1,3-oxazolidin-2-one (PubChem CID 10198249) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-octanoyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-octanoyl-1,3-oxazolidin-2-one
PubChem CID10198249
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name3-octanoyl-1,3-oxazolidin-2-one
SMILESCCCCCCCC(=O)N1CCOC1=O
InChIInChI=1S/C11H19NO3/c1-2-3-4-5-6-7-10(13)12-8-9-15-11(12)14/h2-9H2,1H3
InChIKeyPCHUKZUSMRNCOP-UHFFFAOYSA-N
XLogP2.33
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-octanoyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-octanoyl-1,3-oxazolidin-2-one (CID 10198249) is 3-octanoyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-octanoyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-octanoyl-1,3-oxazolidin-2-one is CCCCCCCC(=O)N1CCOC1=O.
What is the InChIKey of 3-octanoyl-1,3-oxazolidin-2-one?
The InChIKey is PCHUKZUSMRNCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-2-3-4-5-6-7-10(13)12-8-9-15-11(12)14/h2-9H2,1H3.
What are the key properties of 3-octanoyl-1,3-oxazolidin-2-one?
3-octanoyl-1,3-oxazolidin-2-one has a molecular weight of 213.28 g/mol, XLogP of 2.33, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-octanoyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 10198249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).