N-(5-chloro-2-hydroxyphenyl)-N'-(1,2,4-triazol-4-yl)oxamide

C10H8ClN5O3 — CID 108519080

IUPACN-(5-chloro-2-hydroxyphenyl)-N'-(1,2,4-triazol-4-yl)oxamide
SMILESO=C(Nc1cc(Cl)ccc1O)C(=O)Nn1cnnc1
InChIInChI=1S/C10H8ClN5O3/c11-6-1-2-8(17)7(3-6)14-9(18)10(19)15-16-4-12-13-5-16/h1-5,17H,(H,14,18)(H,15,19)
InChIKeyIGEBBDZWUZILCP-UHFFFAOYSA-N
MW281.66 g/mol
LogP0.35
Rot. Bonds2

About N-(5-chloro-2-hydroxyphenyl)-N'-(1,2,4-triazol-4-yl)oxamide

N-(5-chloro-2-hydroxyphenyl)-N'-(1,2,4-triazol-4-yl)oxamide (PubChem CID 108519080) has the molecular formula C10H8ClN5O3 and a molecular weight of 281.66 g/mol. Its IUPAC name is N-(5-chloro-2-hydroxyphenyl)-N'-(1,2,4-triazol-4-yl)oxamide.

Molecular Properties

Compound NameN-(5-chloro-2-hydroxyphenyl)-N'-(1,2,4-triazol-4-yl)oxamide
PubChem CID108519080
Molecular FormulaC10H8ClN5O3
Molecular Weight281.66 g/mol
Exact Mass281.03
IUPAC NameN-(5-chloro-2-hydroxyphenyl)-N'-(1,2,4-triazol-4-yl)oxamide
SMILESO=C(Nc1cc(Cl)ccc1O)C(=O)Nn1cnnc1
InChIInChI=1S/C10H8ClN5O3/c11-6-1-2-8(17)7(3-6)14-9(18)10(19)15-16-4-12-13-5-16/h1-5,17H,(H,14,18)(H,15,19)
InChIKeyIGEBBDZWUZILCP-UHFFFAOYSA-N
XLogP0.35
TPSA109.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.66
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-(5-chloro-2-hydroxyphenyl)-N-(4-chlorophenyl)oxamide
CID 108516598
N-(3-chloro-4-fluorophenyl)-N'-(1,2,4-triazol-4-yl)oxamide
CID 108519183
N'-(5-chloro-2-hydroxyphenyl)-N-(4-sulfamoylphenyl)oxamide
CID 108508697
1-N,3-N,5-N-tris(5-chloro-2-hydroxyphenyl)benzene-1,3,5-tricarboxamide
CID 57074099
N-(5-chloro-2-hydroxyphenyl)-1-ethylpyrazole-3-carboxamide
CID 19262175
N-(4-amino-3-chlorophenyl)-N'-(5-chloro-2-hydroxyphenyl)oxamide
CID 108515977
N'-(4-aminobenzoyl)-N-(5-chloro-2-hydroxyphenyl)oxamide
CID 108519760
N'-(5-chloro-2-hydroxyphenyl)-N-(2-methoxyethyl)oxamide
CID 108504969
2-chloro-N-(5-chloro-2-hydroxyphenyl)-5-(tetrazol-1-yl)benzamide
CID 135653875
N'-(5-chloro-2-hydroxyphenyl)-N-[(4-fluorophenyl)methyl]oxamide
CID 108519764
N'-tert-butyl-N-(5-chloro-2-hydroxyphenyl)-N'-ethyloxamide
CID 108519777
N-[4-(diethylamino)-2-methylphenyl]-N'-(1,2,4-triazol-4-yl)oxamide
CID 108519226

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-hydroxyphenyl)-N'-(1,2,4-triazol-4-yl)oxamide?
The IUPAC name of N-(5-chloro-2-hydroxyphenyl)-N'-(1,2,4-triazol-4-yl)oxamide (CID 108519080) is N-(5-chloro-2-hydroxyphenyl)-N'-(1,2,4-triazol-4-yl)oxamide.
What is the SMILES notation for N-(5-chloro-2-hydroxyphenyl)-N'-(1,2,4-triazol-4-yl)oxamide?
The canonical SMILES for N-(5-chloro-2-hydroxyphenyl)-N'-(1,2,4-triazol-4-yl)oxamide is O=C(Nc1cc(Cl)ccc1O)C(=O)Nn1cnnc1.
What is the InChIKey of N-(5-chloro-2-hydroxyphenyl)-N'-(1,2,4-triazol-4-yl)oxamide?
The InChIKey is IGEBBDZWUZILCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN5O3/c11-6-1-2-8(17)7(3-6)14-9(18)10(19)15-16-4-12-13-5-16/h1-5,17H,(H,14,18)(H,15,19).
What are the key properties of N-(5-chloro-2-hydroxyphenyl)-N'-(1,2,4-triazol-4-yl)oxamide?
N-(5-chloro-2-hydroxyphenyl)-N'-(1,2,4-triazol-4-yl)oxamide has a molecular weight of 281.66 g/mol, XLogP of 0.35, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-hydroxyphenyl)-N'-(1,2,4-triazol-4-yl)oxamide is sourced from PubChem (CID 108519080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).