3-(2-oxo-1,3-oxazolidin-3-yl)propyl acetate

C8H13NO4 — CID 11116771

IUPAC3-(2-oxo-1,3-oxazolidin-3-yl)propyl acetate
SMILESCC(=O)OCCCN1CCOC1=O
InChIInChI=1S/C8H13NO4/c1-7(10)12-5-2-3-9-4-6-13-8(9)11/h2-6H2,1H3
InChIKeyHWJSMGMTPGFFHF-UHFFFAOYSA-N
MW187.19 g/mol
LogP0.39
Rot. Bonds4

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

3-(2-oxo-1,3-oxazolidin-3-yl)propyl acetate (PubChem CID 11116771) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is 3-(2-oxo-1,3-oxazolidin-3-yl)propyl acetate.

Molecular Properties

Compound Name3-(2-oxo-1,3-oxazolidin-3-yl)propyl acetate
PubChem CID11116771
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name3-(2-oxo-1,3-oxazolidin-3-yl)propyl acetate
SMILESCC(=O)OCCCN1CCOC1=O
InChIInChI=1S/C8H13NO4/c1-7(10)12-5-2-3-9-4-6-13-8(9)11/h2-6H2,1H3
InChIKeyHWJSMGMTPGFFHF-UHFFFAOYSA-N
XLogP0.39
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(2-oxo-1,3-oxazolidin-3-yl)propyl acetate?
The IUPAC name of 3-(2-oxo-1,3-oxazolidin-3-yl)propyl acetate (CID 11116771) is 3-(2-oxo-1,3-oxazolidin-3-yl)propyl acetate.
What is the SMILES notation for 3-(2-oxo-1,3-oxazolidin-3-yl)propyl acetate?
The canonical SMILES for 3-(2-oxo-1,3-oxazolidin-3-yl)propyl acetate is CC(=O)OCCCN1CCOC1=O.
What is the InChIKey of 3-(2-oxo-1,3-oxazolidin-3-yl)propyl acetate?
The InChIKey is HWJSMGMTPGFFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO4/c1-7(10)12-5-2-3-9-4-6-13-8(9)11/h2-6H2,1H3.
What are the key properties of 3-(2-oxo-1,3-oxazolidin-3-yl)propyl acetate?
3-(2-oxo-1,3-oxazolidin-3-yl)propyl acetate has a molecular weight of 187.19 g/mol, XLogP of 0.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-1,3-oxazolidin-3-yl)propyl acetate is sourced from PubChem (CID 11116771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).