2,1,3-benzoxadiazole-5-carboxamide

C7H5N3O2 — CID 22335030

IUPAC2,1,3-benzoxadiazole-5-carboxamide
SMILESNC(=O)c1ccc2nonc2c1
InChIInChI=1S/C7H5N3O2/c8-7(11)4-1-2-5-6(3-4)10-12-9-5/h1-3H,(H2,8,11)
InChIKeyQGJCWLBFFLOLQQ-UHFFFAOYSA-N
MW163.14 g/mol
LogP0.32
Rot. Bonds1

About 2,1,3-benzoxadiazole-5-carboxamide

2,1,3-benzoxadiazole-5-carboxamide (PubChem CID 22335030) has the molecular formula C7H5N3O2 and a molecular weight of 163.14 g/mol. Its IUPAC name is 2,1,3-benzoxadiazole-5-carboxamide.

Molecular Properties

Compound Name2,1,3-benzoxadiazole-5-carboxamide
PubChem CID22335030
Molecular FormulaC7H5N3O2
Molecular Weight163.14 g/mol
Exact Mass163.04
IUPAC Name2,1,3-benzoxadiazole-5-carboxamide
SMILESNC(=O)c1ccc2nonc2c1
InChIInChI=1S/C7H5N3O2/c8-7(11)4-1-2-5-6(3-4)10-12-9-5/h1-3H,(H2,8,11)
InChIKeyQGJCWLBFFLOLQQ-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

N'-hydroxy-2,1,3-benzoxadiazole-5-carboximidamide
CID 2821550
2,1,3-benzoxadiazole-5-carboximidamide
CID 140791723
1,2,3-benzoxadiazole-6-carboxamide
CID 151372469
1,3-benzoxazole-6-carboxamide
CID 22245908
[[amino(2,1,3-benzoxadiazol-5-yl)methylidene]amino] N-(3-chlorophenyl)carbamate
CID 2821570
2,3-diethylquinoxaline-6-carboxamide
CID 53015593
1,3-bis(2,1,3-benzoxadiazol-5-yl)urea
CID 69090481
N-(2-methylpropyl)-N-propan-2-yl-2,1,3-benzoxadiazole-5-carboxamide
CID 23588517
2-methyl-1,3-benzoxazole-6-carboxamide
CID 82490560
2-methylquinoxaline-6-carboxamide
CID 89421881
1-(2,1,3-benzoxadiazol-5-yl)-N-methoxyethanimine
CID 72609414
9-azabicyclo[3.3.1]nonan-3-yl(2,1,3-benzoxadiazol-5-yl)methanone
CID 171945695

Frequently Asked Questions

What is the IUPAC name of 2,1,3-benzoxadiazole-5-carboxamide?
The IUPAC name of 2,1,3-benzoxadiazole-5-carboxamide (CID 22335030) is 2,1,3-benzoxadiazole-5-carboxamide.
What is the SMILES notation for 2,1,3-benzoxadiazole-5-carboxamide?
The canonical SMILES for 2,1,3-benzoxadiazole-5-carboxamide is NC(=O)c1ccc2nonc2c1.
What is the InChIKey of 2,1,3-benzoxadiazole-5-carboxamide?
The InChIKey is QGJCWLBFFLOLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O2/c8-7(11)4-1-2-5-6(3-4)10-12-9-5/h1-3H,(H2,8,11).
What are the key properties of 2,1,3-benzoxadiazole-5-carboxamide?
2,1,3-benzoxadiazole-5-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 2,1,3-benzoxadiazole-5-carboxamide is sourced from PubChem (CID 22335030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).