N-(5-methyl-1,2-oxazol-3-yl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide

C13H11N3O5S — CID 2425592

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
SMILESCc1cc(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)no1
InChIInChI=1S/C13H11N3O5S/c1-8-6-11(15-21-8)14-12(17)7-16-13(18)9-4-2-3-5-10(9)22(16,19)20/h2-6H,7H2,1H3,(H,14,15,17)
InChIKeyOCEZJTJAJHRHDA-UHFFFAOYSA-N
MW321.31 g/mol
LogP0.77
Rot. Bonds3

About N-(5-methyl-1,2-oxazol-3-yl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide

N-(5-methyl-1,2-oxazol-3-yl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide (PubChem CID 2425592) has the molecular formula C13H11N3O5S and a molecular weight of 321.31 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
PubChem CID2425592
Molecular FormulaC13H11N3O5S
Molecular Weight321.31 g/mol
Exact Mass321.04
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
SMILESCc1cc(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)no1
InChIInChI=1S/C13H11N3O5S/c1-8-6-11(15-21-8)14-12(17)7-16-13(18)9-4-2-3-5-10(9)22(16,19)20/h2-6H,7H2,1H3,(H,14,15,17)
InChIKeyOCEZJTJAJHRHDA-UHFFFAOYSA-N
XLogP0.77
TPSA109.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.31
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide
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4-(diethylsulfamoyl)-N-(5-methyl-1,2-oxazol-3-yl)benzamide
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N-(1,2-oxazol-3-yl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide (CID 2425592) is N-(5-methyl-1,2-oxazol-3-yl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide is Cc1cc(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide?
The InChIKey is OCEZJTJAJHRHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O5S/c1-8-6-11(15-21-8)14-12(17)7-16-13(18)9-4-2-3-5-10(9)22(16,19)20/h2-6H,7H2,1H3,(H,14,15,17).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide has a molecular weight of 321.31 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 2425592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).