4-hydroxy-2-methyl-N-(1,2-oxazol-3-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide

C13H11N3O5S — CID 54724796

IUPAC4-hydroxy-2-methyl-N-(1,2-oxazol-3-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
SMILESCN1C(C(=O)Nc2ccon2)=C(O)c2ccccc2S1(=O)=O
InChIInChI=1S/C13H11N3O5S/c1-16-11(13(18)14-10-6-7-21-15-10)12(17)8-4-2-3-5-9(8)22(16,19)20/h2-7,17H,1H3,(H,14,15,18)
InChIKeyCADCEJCCXOKFTE-UHFFFAOYSA-N
MW321.31 g/mol
LogP1.17
Rot. Bonds2

About 4-hydroxy-2-methyl-N-(1,2-oxazol-3-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide

4-hydroxy-2-methyl-N-(1,2-oxazol-3-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide (PubChem CID 54724796) has the molecular formula C13H11N3O5S and a molecular weight of 321.31 g/mol. Its IUPAC name is 4-hydroxy-2-methyl-N-(1,2-oxazol-3-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-2-methyl-N-(1,2-oxazol-3-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
PubChem CID54724796
Molecular FormulaC13H11N3O5S
Molecular Weight321.31 g/mol
Exact Mass321.04
IUPAC Name4-hydroxy-2-methyl-N-(1,2-oxazol-3-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
SMILESCN1C(C(=O)Nc2ccon2)=C(O)c2ccccc2S1(=O)=O
InChIInChI=1S/C13H11N3O5S/c1-16-11(13(18)14-10-6-7-21-15-10)12(17)8-4-2-3-5-9(8)22(16,19)20/h2-7,17H,1H3,(H,14,15,18)
InChIKeyCADCEJCCXOKFTE-UHFFFAOYSA-N
XLogP1.17
TPSA112.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.31
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-methyl-N-(1,2-oxazol-3-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
The IUPAC name of 4-hydroxy-2-methyl-N-(1,2-oxazol-3-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide (CID 54724796) is 4-hydroxy-2-methyl-N-(1,2-oxazol-3-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide.
What is the SMILES notation for 4-hydroxy-2-methyl-N-(1,2-oxazol-3-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
The canonical SMILES for 4-hydroxy-2-methyl-N-(1,2-oxazol-3-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide is CN1C(C(=O)Nc2ccon2)=C(O)c2ccccc2S1(=O)=O.
What is the InChIKey of 4-hydroxy-2-methyl-N-(1,2-oxazol-3-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
The InChIKey is CADCEJCCXOKFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O5S/c1-16-11(13(18)14-10-6-7-21-15-10)12(17)8-4-2-3-5-9(8)22(16,19)20/h2-7,17H,1H3,(H,14,15,18).
What are the key properties of 4-hydroxy-2-methyl-N-(1,2-oxazol-3-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
4-hydroxy-2-methyl-N-(1,2-oxazol-3-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide has a molecular weight of 321.31 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-methyl-N-(1,2-oxazol-3-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide is sourced from PubChem (CID 54724796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).