[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 4-(1,3-dithian-2-yl)benzoate

C16H17NO5S2 — CID 8950440

IUPAC[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 4-(1,3-dithian-2-yl)benzoate
SMILESO=C(OCC(=O)N1CCOC1=O)c1ccc(C2SCCCS2)cc1
InChIInChI=1S/C16H17NO5S2/c18-13(17-6-7-21-16(17)20)10-22-14(19)11-2-4-12(5-3-11)15-23-8-1-9-24-15/h2-5,15H,1,6-10H2
InChIKeyLOYASOMZQZIBLW-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.69
Rot. Bonds4

About [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 4-(1,3-dithian-2-yl)benzoate

[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 4-(1,3-dithian-2-yl)benzoate (PubChem CID 8950440) has the molecular formula C16H17NO5S2 and a molecular weight of 367.45 g/mol. Its IUPAC name is [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 4-(1,3-dithian-2-yl)benzoate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 4-(1,3-dithian-2-yl)benzoate
PubChem CID8950440
Molecular FormulaC16H17NO5S2
Molecular Weight367.45 g/mol
Exact Mass367.05
IUPAC Name[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 4-(1,3-dithian-2-yl)benzoate
SMILESO=C(OCC(=O)N1CCOC1=O)c1ccc(C2SCCCS2)cc1
InChIInChI=1S/C16H17NO5S2/c18-13(17-6-7-21-16(17)20)10-22-14(19)11-2-4-12(5-3-11)15-23-8-1-9-24-15/h2-5,15H,1,6-10H2
InChIKeyLOYASOMZQZIBLW-UHFFFAOYSA-N
XLogP2.69
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-[4-(1,3-dithiolan-2-yl)phenoxy]acetate
CID 8949655
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 4-phenylbenzoate
CID 8650065
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 4-methylsulfonylbenzoate
CID 8886975
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 3,4-dimethoxybenzoate
CID 8649073
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 4-(5-methylpyrazol-1-yl)benzoate
CID 8974949
(2-oxo-2-thiophen-2-ylethyl) 4-(1,3-dithian-2-yl)benzoate
CID 8595075
[2-(benzylamino)-2-oxoethyl] 4-(1,3-dithian-2-yl)benzoate
CID 8594859
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 4-chloro-3-(2-oxopyrrolidin-1-yl)benzoate
CID 8972771
[2-(2-methoxyethylamino)-2-oxoethyl] 4-(1,3-dithian-2-yl)benzoate
CID 8595187
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 3,5-dichloro-4-methoxybenzoate
CID 9126378
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 3-nitrobenzoate
CID 8647221
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-(1,3-dithiolan-2-yl)benzoate
CID 7744242

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 4-(1,3-dithian-2-yl)benzoate?
The IUPAC name of [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 4-(1,3-dithian-2-yl)benzoate (CID 8950440) is [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 4-(1,3-dithian-2-yl)benzoate.
What is the SMILES notation for [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 4-(1,3-dithian-2-yl)benzoate?
The canonical SMILES for [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 4-(1,3-dithian-2-yl)benzoate is O=C(OCC(=O)N1CCOC1=O)c1ccc(C2SCCCS2)cc1.
What is the InChIKey of [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 4-(1,3-dithian-2-yl)benzoate?
The InChIKey is LOYASOMZQZIBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO5S2/c18-13(17-6-7-21-16(17)20)10-22-14(19)11-2-4-12(5-3-11)15-23-8-1-9-24-15/h2-5,15H,1,6-10H2.
What are the key properties of [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 4-(1,3-dithian-2-yl)benzoate?
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 4-(1,3-dithian-2-yl)benzoate has a molecular weight of 367.45 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 4-(1,3-dithian-2-yl)benzoate is sourced from PubChem (CID 8950440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).