7-chloro-N'-hydroxy-1,2-benzoxazole-5-carboximidamide

C8H6ClN3O2 — CID 83885583

IUPAC7-chloro-N'-hydroxy-1,2-benzoxazole-5-carboximidamide
SMILESN/C(=N/O)c1cc(Cl)c2oncc2c1
InChIInChI=1S/C8H6ClN3O2/c9-6-2-4(8(10)12-13)1-5-3-11-14-7(5)6/h1-3,13H,(H2,10,12)
InChIKeyXWPJXWMSTDSEQV-UHFFFAOYSA-N
MW211.61 g/mol
LogP1.58
Rot. Bonds1

About 7-chloro-N'-hydroxy-1,2-benzoxazole-5-carboximidamide

7-chloro-N'-hydroxy-1,2-benzoxazole-5-carboximidamide (PubChem CID 83885583) has the molecular formula C8H6ClN3O2 and a molecular weight of 211.61 g/mol. Its IUPAC name is 7-chloro-N'-hydroxy-1,2-benzoxazole-5-carboximidamide.

Molecular Properties

Compound Name7-chloro-N'-hydroxy-1,2-benzoxazole-5-carboximidamide
PubChem CID83885583
Molecular FormulaC8H6ClN3O2
Molecular Weight211.61 g/mol
Exact Mass211.01
IUPAC Name7-chloro-N'-hydroxy-1,2-benzoxazole-5-carboximidamide
SMILESN/C(=N/O)c1cc(Cl)c2oncc2c1
InChIInChI=1S/C8H6ClN3O2/c9-6-2-4(8(10)12-13)1-5-3-11-14-7(5)6/h1-3,13H,(H2,10,12)
InChIKeyXWPJXWMSTDSEQV-UHFFFAOYSA-N
XLogP1.58
TPSA84.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.61
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-amino-3,5-dichloro-N'-hydroxybenzenecarboximidamide
CID 2735315
5-chloro-N'-hydroxy-6-methylsulfanylpyridine-3-carboximidamide
CID 23288277
3-(7-chloro-1,2-benzoxazol-5-yl)-2-methylpropanoic acid
CID 83898535
4-[(5-bromo-2-pyridinyl)methoxy]-3-chloro-N'-hydroxybenzenecarboximidamide
CID 104797667
3-chloro-N'-hydroxy-4-[[(5-methylpyrazin-2-yl)methylamino]methyl]benzenecarboximidamide
CID 102667128
3-bromo-4-chloro-N'-hydroxybenzenecarboximidamide
CID 115565457
3-chloro-4-(3,4-dichlorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 76984195
3-chloro-N'-hydroxy-4-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]benzenecarboximidamide
CID 106400084
3-chloro-4-(3,5-dimethylpyrazol-1-yl)-N'-hydroxybenzenecarboximidamide
CID 76984366
3-chloro-N'-hydroxy-4-[(5-methylpyrazol-1-yl)methyl]benzenecarboximidamide
CID 102667560
4-[(4-bromophenyl)methoxymethyl]-3-chloro-N'-hydroxybenzenecarboximidamide
CID 102667692
4-bromo-2-chloro-6-fluoro-N'-hydroxybenzenecarboximidamide
CID 146014259

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N'-hydroxy-1,2-benzoxazole-5-carboximidamide?
The IUPAC name of 7-chloro-N'-hydroxy-1,2-benzoxazole-5-carboximidamide (CID 83885583) is 7-chloro-N'-hydroxy-1,2-benzoxazole-5-carboximidamide.
What is the SMILES notation for 7-chloro-N'-hydroxy-1,2-benzoxazole-5-carboximidamide?
The canonical SMILES for 7-chloro-N'-hydroxy-1,2-benzoxazole-5-carboximidamide is N/C(=N/O)c1cc(Cl)c2oncc2c1.
What is the InChIKey of 7-chloro-N'-hydroxy-1,2-benzoxazole-5-carboximidamide?
The InChIKey is XWPJXWMSTDSEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3O2/c9-6-2-4(8(10)12-13)1-5-3-11-14-7(5)6/h1-3,13H,(H2,10,12).
What are the key properties of 7-chloro-N'-hydroxy-1,2-benzoxazole-5-carboximidamide?
7-chloro-N'-hydroxy-1,2-benzoxazole-5-carboximidamide has a molecular weight of 211.61 g/mol, XLogP of 1.58, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N'-hydroxy-1,2-benzoxazole-5-carboximidamide is sourced from PubChem (CID 83885583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).