[2-methyl-1-[(5R)-2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propan-2-yl] acetate

C17H20N2O5S — CID 174607179

IUPAC[2-methyl-1-[(5R)-2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propan-2-yl] acetate
SMILESCC(=O)OC(C)(C)C[C@@H]1CN(c2ccc3c(c2)NC(=O)CS3)C(=O)O1
InChIInChI=1S/C17H20N2O5S/c1-10(20)24-17(2,3)7-12-8-19(16(22)23-12)11-4-5-14-13(6-11)18-15(21)9-25-14/h4-6,12H,7-9H2,1-3H3,(H,18,21)/t12-/m1/s1
InChIKeyXWPPAXSRMCQEQO-GFCCVEGCSA-N
MW364.42 g/mol
LogP2.79
Rot. Bonds4

About [2-methyl-1-[(5R)-2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propan-2-yl] acetate

[2-methyl-1-[(5R)-2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propan-2-yl] acetate (PubChem CID 174607179) has the molecular formula C17H20N2O5S and a molecular weight of 364.42 g/mol. Its IUPAC name is [2-methyl-1-[(5R)-2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propan-2-yl] acetate.

Molecular Properties

Compound Name[2-methyl-1-[(5R)-2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propan-2-yl] acetate
PubChem CID174607179
Molecular FormulaC17H20N2O5S
Molecular Weight364.42 g/mol
Exact Mass364.11
IUPAC Name[2-methyl-1-[(5R)-2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propan-2-yl] acetate
SMILESCC(=O)OC(C)(C)C[C@@H]1CN(c2ccc3c(c2)NC(=O)CS3)C(=O)O1
InChIInChI=1S/C17H20N2O5S/c1-10(20)24-17(2,3)7-12-8-19(16(22)23-12)11-4-5-14-13(6-11)18-15(21)9-25-14/h4-6,12H,7-9H2,1-3H3,(H,18,21)/t12-/m1/s1
InChIKeyXWPPAXSRMCQEQO-GFCCVEGCSA-N
XLogP2.79
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-methyl-1-[(5R)-2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propan-2-yl] acetate with MolForge

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Launch Full Analysis

Related Compounds

(5S)-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-5-propyl-1,3-oxazolidin-2-one
CID 123625224
(5R)-5-(chloromethyl)-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
CID 67131156
5-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
CID 67350336
5-(3-aminopropyl)-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
CID 66736987
2-amino-4-methyl-N-[3-[(5R)-2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]benzamide
CID 86723059
2-amino-5-methoxy-N-[3-[(5R)-2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]benzamide
CID 86723069
2-amino-6-methoxy-N-[3-[(5R)-2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]benzamide
CID 86723068
2-amino-3-fluoro-N-[3-[2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]benzamide
CID 89406092
(5R)-5-[2-[[3-(4-methoxyphenyl)phenyl]methylamino]ethyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
CID 86290510
tert-butyl N-[1-(6-methoxy-1,5-naphthyridin-4-yl)-2-[[2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]methylamino]propan-2-yl]carbamate
CID 87130291
tert-butyl 2-[(6-methoxy-1,5-naphthyridin-4-yl)methyl-[3-[2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]amino]acetate
CID 25115786
2-amino-6-chloro-N-[3-[2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]benzamide
CID 89405764

Frequently Asked Questions

What is the IUPAC name of [2-methyl-1-[(5R)-2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propan-2-yl] acetate?
The IUPAC name of [2-methyl-1-[(5R)-2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propan-2-yl] acetate (CID 174607179) is [2-methyl-1-[(5R)-2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propan-2-yl] acetate.
What is the SMILES notation for [2-methyl-1-[(5R)-2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propan-2-yl] acetate?
The canonical SMILES for [2-methyl-1-[(5R)-2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propan-2-yl] acetate is CC(=O)OC(C)(C)C[C@@H]1CN(c2ccc3c(c2)NC(=O)CS3)C(=O)O1.
What is the InChIKey of [2-methyl-1-[(5R)-2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propan-2-yl] acetate?
The InChIKey is XWPPAXSRMCQEQO-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H20N2O5S/c1-10(20)24-17(2,3)7-12-8-19(16(22)23-12)11-4-5-14-13(6-11)18-15(21)9-25-14/h4-6,12H,7-9H2,1-3H3,(H,18,21)/t12-/m1/s1.
What are the key properties of [2-methyl-1-[(5R)-2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propan-2-yl] acetate?
[2-methyl-1-[(5R)-2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propan-2-yl] acetate has a molecular weight of 364.42 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-1-[(5R)-2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propan-2-yl] acetate is sourced from PubChem (CID 174607179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).