(4-acetyloxy-3-iodo-2-oxo-1,3-oxazolidin-4-yl) acetate

C7H8INO6 — CID 87129460

IUPAC(4-acetyloxy-3-iodo-2-oxo-1,3-oxazolidin-4-yl) acetate
SMILESCC(=O)OC1(OC(C)=O)COC(=O)N1I
InChIInChI=1S/C7H8INO6/c1-4(10)14-7(15-5(2)11)3-13-6(12)9(7)8/h3H2,1-2H3
InChIKeyZOVRGKFAXODNJK-UHFFFAOYSA-N
MW329.05 g/mol
LogP0.57
Rot. Bonds2

About (4-acetyloxy-3-iodo-2-oxo-1,3-oxazolidin-4-yl) acetate

(4-acetyloxy-3-iodo-2-oxo-1,3-oxazolidin-4-yl) acetate (PubChem CID 87129460) has the molecular formula C7H8INO6 and a molecular weight of 329.05 g/mol. Its IUPAC name is (4-acetyloxy-3-iodo-2-oxo-1,3-oxazolidin-4-yl) acetate.

Molecular Properties

Compound Name(4-acetyloxy-3-iodo-2-oxo-1,3-oxazolidin-4-yl) acetate
PubChem CID87129460
Molecular FormulaC7H8INO6
Molecular Weight329.05 g/mol
Exact Mass328.94
IUPAC Name(4-acetyloxy-3-iodo-2-oxo-1,3-oxazolidin-4-yl) acetate
SMILESCC(=O)OC1(OC(C)=O)COC(=O)N1I
InChIInChI=1S/C7H8INO6/c1-4(10)14-7(15-5(2)11)3-13-6(12)9(7)8/h3H2,1-2H3
InChIKeyZOVRGKFAXODNJK-UHFFFAOYSA-N
XLogP0.57
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.05
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-acetyloxy-3-iodo-2-oxo-1,3-oxazolidin-4-yl) acetate?
The IUPAC name of (4-acetyloxy-3-iodo-2-oxo-1,3-oxazolidin-4-yl) acetate (CID 87129460) is (4-acetyloxy-3-iodo-2-oxo-1,3-oxazolidin-4-yl) acetate.
What is the SMILES notation for (4-acetyloxy-3-iodo-2-oxo-1,3-oxazolidin-4-yl) acetate?
The canonical SMILES for (4-acetyloxy-3-iodo-2-oxo-1,3-oxazolidin-4-yl) acetate is CC(=O)OC1(OC(C)=O)COC(=O)N1I.
What is the InChIKey of (4-acetyloxy-3-iodo-2-oxo-1,3-oxazolidin-4-yl) acetate?
The InChIKey is ZOVRGKFAXODNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8INO6/c1-4(10)14-7(15-5(2)11)3-13-6(12)9(7)8/h3H2,1-2H3.
What are the key properties of (4-acetyloxy-3-iodo-2-oxo-1,3-oxazolidin-4-yl) acetate?
(4-acetyloxy-3-iodo-2-oxo-1,3-oxazolidin-4-yl) acetate has a molecular weight of 329.05 g/mol, XLogP of 0.57, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetyloxy-3-iodo-2-oxo-1,3-oxazolidin-4-yl) acetate is sourced from PubChem (CID 87129460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).