5-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one

C21H32N2O4SSi — CID 67350336

IUPAC5-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
SMILESCC(C)(C)[Si](C)(C)OCCCCC1CN(c2ccc3c(c2)NC(=O)CS3)C(=O)O1
InChIInChI=1S/C21H32N2O4SSi/c1-21(2,3)29(4,5)26-11-7-6-8-16-13-23(20(25)27-16)15-9-10-18-17(12-15)22-19(24)14-28-18/h9-10,12,16H,6-8,11,13-14H2,1-5H3,(H,22,24)
InChIKeyFOURYRKCIOKIPC-UHFFFAOYSA-N
MW436.65 g/mol
LogP5.25
Rot. Bonds7

About 5-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one

5-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one (PubChem CID 67350336) has the molecular formula C21H32N2O4SSi and a molecular weight of 436.65 g/mol. Its IUPAC name is 5-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
PubChem CID67350336
Molecular FormulaC21H32N2O4SSi
Molecular Weight436.65 g/mol
Exact Mass436.19
IUPAC Name5-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
SMILESCC(C)(C)[Si](C)(C)OCCCCC1CN(c2ccc3c(c2)NC(=O)CS3)C(=O)O1
InChIInChI=1S/C21H32N2O4SSi/c1-21(2,3)29(4,5)26-11-7-6-8-16-13-23(20(25)27-16)15-9-10-18-17(12-15)22-19(24)14-28-18/h9-10,12,16H,6-8,11,13-14H2,1-5H3,(H,22,24)
InChIKeyFOURYRKCIOKIPC-UHFFFAOYSA-N
XLogP5.25
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.65
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one (CID 67350336) is 5-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one is CC(C)(C)[Si](C)(C)OCCCCC1CN(c2ccc3c(c2)NC(=O)CS3)C(=O)O1.
What is the InChIKey of 5-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one?
The InChIKey is FOURYRKCIOKIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O4SSi/c1-21(2,3)29(4,5)26-11-7-6-8-16-13-23(20(25)27-16)15-9-10-18-17(12-15)22-19(24)14-28-18/h9-10,12,16H,6-8,11,13-14H2,1-5H3,(H,22,24).
What are the key properties of 5-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one?
5-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one has a molecular weight of 436.65 g/mol, XLogP of 5.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 67350336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).