4-hydroxy-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-2-propyl-1λ6,2-benzothiazine-3-carboxamide

C16H17N3O5S — CID 54687335

IUPAC4-hydroxy-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-2-propyl-1λ6,2-benzothiazine-3-carboxamide
SMILESCCCN1C(C(=O)Nc2cc(C)on2)=C(O)c2ccccc2S1(=O)=O
InChIInChI=1S/C16H17N3O5S/c1-3-8-19-14(16(21)17-13-9-10(2)24-18-13)15(20)11-6-4-5-7-12(11)25(19,22)23/h4-7,9,20H,3,8H2,1-2H3,(H,17,18,21)
InChIKeyYGLWJFVJFXUNDH-UHFFFAOYSA-N
MW363.40 g/mol
LogP2.26
Rot. Bonds4

About 4-hydroxy-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-2-propyl-1λ6,2-benzothiazine-3-carboxamide

4-hydroxy-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-2-propyl-1λ6,2-benzothiazine-3-carboxamide (PubChem CID 54687335) has the molecular formula C16H17N3O5S and a molecular weight of 363.40 g/mol. Its IUPAC name is 4-hydroxy-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-2-propyl-1λ6,2-benzothiazine-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-2-propyl-1λ6,2-benzothiazine-3-carboxamide
PubChem CID54687335
Molecular FormulaC16H17N3O5S
Molecular Weight363.40 g/mol
Exact Mass363.09
IUPAC Name4-hydroxy-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-2-propyl-1λ6,2-benzothiazine-3-carboxamide
SMILESCCCN1C(C(=O)Nc2cc(C)on2)=C(O)c2ccccc2S1(=O)=O
InChIInChI=1S/C16H17N3O5S/c1-3-8-19-14(16(21)17-13-9-10(2)24-18-13)15(20)11-6-4-5-7-12(11)25(19,22)23/h4-7,9,20H,3,8H2,1-2H3,(H,17,18,21)
InChIKeyYGLWJFVJFXUNDH-UHFFFAOYSA-N
XLogP2.26
TPSA112.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-2-propyl-1λ6,2-benzothiazine-3-carboxamide?
The IUPAC name of 4-hydroxy-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-2-propyl-1λ6,2-benzothiazine-3-carboxamide (CID 54687335) is 4-hydroxy-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-2-propyl-1λ6,2-benzothiazine-3-carboxamide.
What is the SMILES notation for 4-hydroxy-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-2-propyl-1λ6,2-benzothiazine-3-carboxamide?
The canonical SMILES for 4-hydroxy-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-2-propyl-1λ6,2-benzothiazine-3-carboxamide is CCCN1C(C(=O)Nc2cc(C)on2)=C(O)c2ccccc2S1(=O)=O.
What is the InChIKey of 4-hydroxy-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-2-propyl-1λ6,2-benzothiazine-3-carboxamide?
The InChIKey is YGLWJFVJFXUNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O5S/c1-3-8-19-14(16(21)17-13-9-10(2)24-18-13)15(20)11-6-4-5-7-12(11)25(19,22)23/h4-7,9,20H,3,8H2,1-2H3,(H,17,18,21).
What are the key properties of 4-hydroxy-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-2-propyl-1λ6,2-benzothiazine-3-carboxamide?
4-hydroxy-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-2-propyl-1λ6,2-benzothiazine-3-carboxamide has a molecular weight of 363.40 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-2-propyl-1λ6,2-benzothiazine-3-carboxamide is sourced from PubChem (CID 54687335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).