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

C20H17N3O5S — CID 54712209

IUPAC2-benzyl-4-hydroxy-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
SMILESCc1cc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2Cc2ccccc2)no1
InChIInChI=1S/C20H17N3O5S/c1-13-11-17(22-28-13)21-20(25)18-19(24)15-9-5-6-10-16(15)29(26,27)23(18)12-14-7-3-2-4-8-14/h2-11,24H,12H2,1H3,(H,21,22,25)
InChIKeyORYNMSOURWQSHB-UHFFFAOYSA-N
MW411.44 g/mol
LogP3.05
Rot. Bonds4

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

2-benzyl-4-hydroxy-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide (PubChem CID 54712209) has the molecular formula C20H17N3O5S and a molecular weight of 411.44 g/mol. Its IUPAC name is 2-benzyl-4-hydroxy-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide.

Molecular Properties

Compound Name2-benzyl-4-hydroxy-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
PubChem CID54712209
Molecular FormulaC20H17N3O5S
Molecular Weight411.44 g/mol
Exact Mass411.09
IUPAC Name2-benzyl-4-hydroxy-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
SMILESCc1cc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2Cc2ccccc2)no1
InChIInChI=1S/C20H17N3O5S/c1-13-11-17(22-28-13)21-20(25)18-19(24)15-9-5-6-10-16(15)29(26,27)23(18)12-14-7-3-2-4-8-14/h2-11,24H,12H2,1H3,(H,21,22,25)
InChIKeyORYNMSOURWQSHB-UHFFFAOYSA-N
XLogP3.05
TPSA112.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.44
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[(3,4-dichlorophenyl)methylsulfanylmethyl]-1,2-oxazol-3-yl]-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
CID 70410637
N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 569560
6-(benzylamino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109346618
4-hydroxy-2-methyl-N-[5-(octoxymethyl)-1,2-oxazol-3-yl]-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
CID 70411147
N-[5-(decylsulfinylmethyl)-1,2-oxazol-3-yl]-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
CID 70411262
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-benzyl-1,3-dioxoisoindole-5-carboxylate
CID 2489583
3-N-benzyl-5-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3,5-dicarboxamide
CID 109105083
2-(4-benzyl-2,3-dioxopiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 20932177
methyl 2-(1,3-benzodioxol-5-ylmethyl)-4-hydroxy-1,1-dioxo-1λ6,2-benzothiazine-3-carboxylate
CID 70058938
5-(N-benzylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide
CID 109246079
N-benzyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108945355
2-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 2815174

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-hydroxy-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
The IUPAC name of 2-benzyl-4-hydroxy-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide (CID 54712209) is 2-benzyl-4-hydroxy-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide.
What is the SMILES notation for 2-benzyl-4-hydroxy-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
The canonical SMILES for 2-benzyl-4-hydroxy-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide is Cc1cc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2Cc2ccccc2)no1.
What is the InChIKey of 2-benzyl-4-hydroxy-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
The InChIKey is ORYNMSOURWQSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O5S/c1-13-11-17(22-28-13)21-20(25)18-19(24)15-9-5-6-10-16(15)29(26,27)23(18)12-14-7-3-2-4-8-14/h2-11,24H,12H2,1H3,(H,21,22,25).
What are the key properties of 2-benzyl-4-hydroxy-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
2-benzyl-4-hydroxy-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide has a molecular weight of 411.44 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-hydroxy-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide is sourced from PubChem (CID 54712209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).