N-(2,1,3-benzothiadiazol-4-yl)-3-methoxy-1,2-oxazole-5-carboxamide

C11H8N4O3S — CID 90573690

IUPACN-(2,1,3-benzothiadiazol-4-yl)-3-methoxy-1,2-oxazole-5-carboxamide
SMILESCOc1cc(C(=O)Nc2cccc3nsnc23)on1
InChIInChI=1S/C11H8N4O3S/c1-17-9-5-8(18-13-9)11(16)12-6-3-2-4-7-10(6)15-19-14-7/h2-5H,1H3,(H,12,16)
InChIKeyJLFBTVXUIIKDMX-UHFFFAOYSA-N
MW276.28 g/mol
LogP1.94
Rot. Bonds3

About N-(2,1,3-benzothiadiazol-4-yl)-3-methoxy-1,2-oxazole-5-carboxamide

N-(2,1,3-benzothiadiazol-4-yl)-3-methoxy-1,2-oxazole-5-carboxamide (PubChem CID 90573690) has the molecular formula C11H8N4O3S and a molecular weight of 276.28 g/mol. Its IUPAC name is N-(2,1,3-benzothiadiazol-4-yl)-3-methoxy-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,1,3-benzothiadiazol-4-yl)-3-methoxy-1,2-oxazole-5-carboxamide
PubChem CID90573690
Molecular FormulaC11H8N4O3S
Molecular Weight276.28 g/mol
Exact Mass276.03
IUPAC NameN-(2,1,3-benzothiadiazol-4-yl)-3-methoxy-1,2-oxazole-5-carboxamide
SMILESCOc1cc(C(=O)Nc2cccc3nsnc23)on1
InChIInChI=1S/C11H8N4O3S/c1-17-9-5-8(18-13-9)11(16)12-6-3-2-4-7-10(6)15-19-14-7/h2-5H,1H3,(H,12,16)
InChIKeyJLFBTVXUIIKDMX-UHFFFAOYSA-N
XLogP1.94
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,1,3-benzothiadiazol-4-yl)-6-methoxypyridazine-3-carboxamide
CID 90509394
N-(2,1,3-benzothiadiazol-4-yl)-2-methoxybenzamide
CID 711890
N-(2,1,3-benzothiadiazol-4-yl)-5-(4-bromophenyl)furan-2-carboxamide
CID 1372159
N-(5-chloro-2-methoxyphenyl)-3-methoxy-1,2-oxazole-5-carboxamide
CID 71802469
N-(2,1,3-benzothiadiazol-4-ylcarbamothioyl)furan-2-carboxamide
CID 739009
N-(2,1,3-benzothiadiazol-4-yl)-6-ethoxypyrimidine-4-carboxamide
CID 121167615
3-methoxy-N-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide
CID 90573837
N-(2,1,3-benzothiadiazol-4-yl)-3,4,5-triethoxybenzamide
CID 4590084
N-(2,1,3-benzothiadiazol-4-yl)-5-(3,4-difluorophenyl)-1,2-oxazole-3-carboxamide
CID 51064558
N-(2,1,3-benzothiadiazol-4-yl)-6-ethyl-4-oxochromene-2-carboxamide
CID 51064565
N-(2,1,3-benzothiadiazol-4-yl)-3,5-dipropoxybenzamide
CID 2272136
3-methoxy-N-(2,4,6-trimethylphenyl)-1,2-oxazole-5-carboxamide
CID 90573885

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-3-methoxy-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-3-methoxy-1,2-oxazole-5-carboxamide (CID 90573690) is N-(2,1,3-benzothiadiazol-4-yl)-3-methoxy-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(2,1,3-benzothiadiazol-4-yl)-3-methoxy-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(2,1,3-benzothiadiazol-4-yl)-3-methoxy-1,2-oxazole-5-carboxamide is COc1cc(C(=O)Nc2cccc3nsnc23)on1.
What is the InChIKey of N-(2,1,3-benzothiadiazol-4-yl)-3-methoxy-1,2-oxazole-5-carboxamide?
The InChIKey is JLFBTVXUIIKDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O3S/c1-17-9-5-8(18-13-9)11(16)12-6-3-2-4-7-10(6)15-19-14-7/h2-5H,1H3,(H,12,16).
What are the key properties of N-(2,1,3-benzothiadiazol-4-yl)-3-methoxy-1,2-oxazole-5-carboxamide?
N-(2,1,3-benzothiadiazol-4-yl)-3-methoxy-1,2-oxazole-5-carboxamide has a molecular weight of 276.28 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzothiadiazol-4-yl)-3-methoxy-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 90573690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).