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

C12H9N3O5S — CID 7422978

IUPACN-(1,2-oxazol-3-yl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
SMILESO=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccon1
InChIInChI=1S/C12H9N3O5S/c16-11(13-10-5-6-20-14-10)7-15-12(17)8-3-1-2-4-9(8)21(15,18)19/h1-6H,7H2,(H,13,14,16)
InChIKeyHDFCPCXTBXSJFF-UHFFFAOYSA-N
MW307.29 g/mol
LogP0.46
Rot. Bonds3

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

N-(1,2-oxazol-3-yl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide (PubChem CID 7422978) has the molecular formula C12H9N3O5S and a molecular weight of 307.29 g/mol. Its IUPAC name is N-(1,2-oxazol-3-yl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(1,2-oxazol-3-yl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
PubChem CID7422978
Molecular FormulaC12H9N3O5S
Molecular Weight307.29 g/mol
Exact Mass307.03
IUPAC NameN-(1,2-oxazol-3-yl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
SMILESO=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccon1
InChIInChI=1S/C12H9N3O5S/c16-11(13-10-5-6-20-14-10)7-15-12(17)8-3-1-2-4-9(8)21(15,18)19/h1-6H,7H2,(H,13,14,16)
InChIKeyHDFCPCXTBXSJFF-UHFFFAOYSA-N
XLogP0.46
TPSA109.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.29
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(azepan-1-ylsulfonyl)-N-(1,2-oxazol-3-yl)benzamide
CID 977323
N-3-isoxazolyl-3-(1-piperidinylsulfonyl)benzamide
CID 2952736
1,2-Benzisothiazole-2(3H)-acetamide, N-(5-methyl-3-isoxazolyl)-3-oxo-, 1,1-dioxide
CID 2425592
2-methyl-N-(5-methyl-3-isoxazolyl)-1,1,4-trioxo-3H-1$l^{6},2-benzothiazine-3-carboxamide
CID 20507134
4-(azepan-1-ylsulfonyl)-N-(1,2-oxazol-3-yl)benzamide
CID 969735
4-(diethylsulfamoyl)-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 4963102
N-3-isoxazolyl-4-(4-morpholinylsulfonyl)benzamide
CID 977841
3-Diethylsulfamoyl-N-(5-methyl-isoxazol-3-yl)-benzamide
CID 1087729
3-(1-azepanylsulfonyl)-N-(3-isoxazolyl)-4-methylbenzamide
CID 1248982
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 4844683
N-3-isoxazolyl-3-(1-pyrrolidinylsulfonyl)benzamide
CID 972842
N-3-isoxazolyl-4-methyl-3-(1-pyrrolidinylsulfonyl)benzamide
CID 974221

Frequently Asked Questions

What is the IUPAC name of N-(1,2-oxazol-3-yl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide?
The IUPAC name of N-(1,2-oxazol-3-yl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide (CID 7422978) is N-(1,2-oxazol-3-yl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide.
What is the SMILES notation for N-(1,2-oxazol-3-yl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide?
The canonical SMILES for N-(1,2-oxazol-3-yl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide is O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccon1.
What is the InChIKey of N-(1,2-oxazol-3-yl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide?
The InChIKey is HDFCPCXTBXSJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O5S/c16-11(13-10-5-6-20-14-10)7-15-12(17)8-3-1-2-4-9(8)21(15,18)19/h1-6H,7H2,(H,13,14,16).
What are the key properties of N-(1,2-oxazol-3-yl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide?
N-(1,2-oxazol-3-yl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide has a molecular weight of 307.29 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-oxazol-3-yl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 7422978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).