N-[2-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]-1,2-oxazole-5-carboxamide

C13H14N4O4S — CID 119101234

IUPACN-[2-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]-1,2-oxazole-5-carboxamide
SMILESCN1c2ccccc2N(CCNC(=O)c2ccno2)S1(=O)=O
InChIInChI=1S/C13H14N4O4S/c1-16-10-4-2-3-5-11(10)17(22(16,19)20)9-8-14-13(18)12-6-7-15-21-12/h2-7H,8-9H2,1H3,(H,14,18)
InChIKeyOHIKUJILLUPDFV-UHFFFAOYSA-N
MW322.35 g/mol
LogP0.61
Rot. Bonds4

About N-[2-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]-1,2-oxazole-5-carboxamide

N-[2-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]-1,2-oxazole-5-carboxamide (PubChem CID 119101234) has the molecular formula C13H14N4O4S and a molecular weight of 322.35 g/mol. Its IUPAC name is N-[2-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]-1,2-oxazole-5-carboxamide
PubChem CID119101234
Molecular FormulaC13H14N4O4S
Molecular Weight322.35 g/mol
Exact Mass322.07
IUPAC NameN-[2-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]-1,2-oxazole-5-carboxamide
SMILESCN1c2ccccc2N(CCNC(=O)c2ccno2)S1(=O)=O
InChIInChI=1S/C13H14N4O4S/c1-16-10-4-2-3-5-11(10)17(22(16,19)20)9-8-14-13(18)12-6-7-15-21-12/h2-7H,8-9H2,1H3,(H,14,18)
InChIKeyOHIKUJILLUPDFV-UHFFFAOYSA-N
XLogP0.61
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.35
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[2-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethylcarbamoyl]benzoate
CID 119101243
N-[2-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 121018520
N-[2-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]-2-phenyltriazole-4-carboxamide
CID 119101235
N-[2-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]morpholine-4-carboxamide
CID 121018545
N-[2-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]-3-pyrazol-1-ylbenzamide
CID 121018531
N-[2-(methylamino)ethyl]-1,2-oxazole-5-carboxamide
CID 62659482
N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-1,2-oxazole-5-carboxamide
CID 121121180
N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1,2-oxazole-5-carboxamide
CID 77098246
N-(3-aminopropyl)-1,2-oxazole-5-carboxamide
CID 62268259
N-[2-(5-fluoro-1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 122243960
N-[2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)ethyl]-1,2-oxazole-5-carboxamide
CID 119105684
N-[2-(4-fluorophenyl)ethyl]-1,2-oxazole-5-carboxamide
CID 110693584

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[2-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]-1,2-oxazole-5-carboxamide (CID 119101234) is N-[2-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[2-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[2-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]-1,2-oxazole-5-carboxamide is CN1c2ccccc2N(CCNC(=O)c2ccno2)S1(=O)=O.
What is the InChIKey of N-[2-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]-1,2-oxazole-5-carboxamide?
The InChIKey is OHIKUJILLUPDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O4S/c1-16-10-4-2-3-5-11(10)17(22(16,19)20)9-8-14-13(18)12-6-7-15-21-12/h2-7H,8-9H2,1H3,(H,14,18).
What are the key properties of N-[2-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]-1,2-oxazole-5-carboxamide?
N-[2-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]-1,2-oxazole-5-carboxamide has a molecular weight of 322.35 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 119101234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).