[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-[4-(1,3-dithiolan-2-yl)phenoxy]acetate

C16H17NO6S2 — CID 8949655

IUPAC[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-[4-(1,3-dithiolan-2-yl)phenoxy]acetate
SMILESO=C(COc1ccc(C2SCCS2)cc1)OCC(=O)N1CCOC1=O
InChIInChI=1S/C16H17NO6S2/c18-13(17-5-6-21-16(17)20)9-23-14(19)10-22-12-3-1-11(2-4-12)15-24-7-8-25-15/h1-4,15H,5-10H2
InChIKeyAZQIFHCWNXNZBS-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.07
Rot. Bonds6

About [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-[4-(1,3-dithiolan-2-yl)phenoxy]acetate

[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-[4-(1,3-dithiolan-2-yl)phenoxy]acetate (PubChem CID 8949655) has the molecular formula C16H17NO6S2 and a molecular weight of 383.45 g/mol. Its IUPAC name is [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-[4-(1,3-dithiolan-2-yl)phenoxy]acetate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-[4-(1,3-dithiolan-2-yl)phenoxy]acetate
PubChem CID8949655
Molecular FormulaC16H17NO6S2
Molecular Weight383.45 g/mol
Exact Mass383.05
IUPAC Name[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-[4-(1,3-dithiolan-2-yl)phenoxy]acetate
SMILESO=C(COc1ccc(C2SCCS2)cc1)OCC(=O)N1CCOC1=O
InChIInChI=1S/C16H17NO6S2/c18-13(17-5-6-21-16(17)20)9-23-14(19)10-22-12-3-1-11(2-4-12)15-24-7-8-25-15/h1-4,15H,5-10H2
InChIKeyAZQIFHCWNXNZBS-UHFFFAOYSA-N
XLogP2.07
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-[4-(1,3-dithiolan-2-yl)phenoxy]acetate?
The IUPAC name of [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-[4-(1,3-dithiolan-2-yl)phenoxy]acetate (CID 8949655) is [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-[4-(1,3-dithiolan-2-yl)phenoxy]acetate.
What is the SMILES notation for [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-[4-(1,3-dithiolan-2-yl)phenoxy]acetate?
The canonical SMILES for [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-[4-(1,3-dithiolan-2-yl)phenoxy]acetate is O=C(COc1ccc(C2SCCS2)cc1)OCC(=O)N1CCOC1=O.
What is the InChIKey of [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-[4-(1,3-dithiolan-2-yl)phenoxy]acetate?
The InChIKey is AZQIFHCWNXNZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO6S2/c18-13(17-5-6-21-16(17)20)9-23-14(19)10-22-12-3-1-11(2-4-12)15-24-7-8-25-15/h1-4,15H,5-10H2.
What are the key properties of [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-[4-(1,3-dithiolan-2-yl)phenoxy]acetate?
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-[4-(1,3-dithiolan-2-yl)phenoxy]acetate has a molecular weight of 383.45 g/mol, XLogP of 2.07, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-[4-(1,3-dithiolan-2-yl)phenoxy]acetate is sourced from PubChem (CID 8949655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).