1,2,3-benzoxadiazole-6-carboxamide

C7H5N3O2 — CID 151372469

IUPAC1,2,3-benzoxadiazole-6-carboxamide
SMILESNC(=O)c1ccc2nnoc2c1
InChIInChI=1S/C7H5N3O2/c8-7(11)4-1-2-5-6(3-4)12-10-9-5/h1-3H,(H2,8,11)
InChIKeyOQSLUMNYQAHGSL-UHFFFAOYSA-N
MW163.14 g/mol
LogP0.32
Rot. Bonds1

About 1,2,3-benzoxadiazole-6-carboxamide

1,2,3-benzoxadiazole-6-carboxamide (PubChem CID 151372469) has the molecular formula C7H5N3O2 and a molecular weight of 163.14 g/mol. Its IUPAC name is 1,2,3-benzoxadiazole-6-carboxamide.

Molecular Properties

Compound Name1,2,3-benzoxadiazole-6-carboxamide
PubChem CID151372469
Molecular FormulaC7H5N3O2
Molecular Weight163.14 g/mol
Exact Mass163.04
IUPAC Name1,2,3-benzoxadiazole-6-carboxamide
SMILESNC(=O)c1ccc2nnoc2c1
InChIInChI=1S/C7H5N3O2/c8-7(11)4-1-2-5-6(3-4)12-10-9-5/h1-3H,(H2,8,11)
InChIKeyOQSLUMNYQAHGSL-UHFFFAOYSA-N
XLogP0.32
TPSA82.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.14
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-benzoxazole-6-carboxamide
CID 22245908
2-methyl-1,3-benzoxazole-6-carboxamide
CID 82490560
2,1,3-benzoxadiazole-5-carboxamide
CID 22335030
3-methylbenzimidazole-5-carboxamide
CID 21105052
2-oxo-1,3-benzodioxole-5-carboxamide
CID 21398782
2-oxa-3,4,5-triazabicyclo[11.4.0]heptadeca-1(13),3,5,7,9,11,14,16-octaene-15-carboxamide
CID 150575374
7-oxophenoxazine-3-carboxamide
CID 67872147
2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxamide
CID 167448203
3-methylcinnoline-6-carboxamide
CID 175807286
[1,2]oxazolo[4,5-c]quinoline-8-carboxamide
CID 172688133
2,3-diethylquinoxaline-6-carboxamide
CID 53015593
2-methylquinoxaline-6-carboxamide
CID 89421881

Frequently Asked Questions

What is the IUPAC name of 1,2,3-benzoxadiazole-6-carboxamide?
The IUPAC name of 1,2,3-benzoxadiazole-6-carboxamide (CID 151372469) is 1,2,3-benzoxadiazole-6-carboxamide.
What is the SMILES notation for 1,2,3-benzoxadiazole-6-carboxamide?
The canonical SMILES for 1,2,3-benzoxadiazole-6-carboxamide is NC(=O)c1ccc2nnoc2c1.
What is the InChIKey of 1,2,3-benzoxadiazole-6-carboxamide?
The InChIKey is OQSLUMNYQAHGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O2/c8-7(11)4-1-2-5-6(3-4)12-10-9-5/h1-3H,(H2,8,11).
What are the key properties of 1,2,3-benzoxadiazole-6-carboxamide?
1,2,3-benzoxadiazole-6-carboxamide has a molecular weight of 163.14 g/mol, XLogP of 0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-benzoxadiazole-6-carboxamide is sourced from PubChem (CID 151372469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).