2-hydroxy-5-iodo-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide

C10H8IN3O3 — CID 103520316

IUPAC2-hydroxy-5-iodo-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
SMILESCc1noc(NC(=O)c2cc(I)ccc2O)n1
InChIInChI=1S/C10H8IN3O3/c1-5-12-10(17-14-5)13-9(16)7-4-6(11)2-3-8(7)15/h2-4,15H,1H3,(H,12,13,14,16)
InChIKeyPEZLEYSJBAYROE-UHFFFAOYSA-N
MW345.10 g/mol
LogP1.94
Rot. Bonds2

About 2-hydroxy-5-iodo-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide

2-hydroxy-5-iodo-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide (PubChem CID 103520316) has the molecular formula C10H8IN3O3 and a molecular weight of 345.10 g/mol. Its IUPAC name is 2-hydroxy-5-iodo-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide.

Molecular Properties

Compound Name2-hydroxy-5-iodo-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
PubChem CID103520316
Molecular FormulaC10H8IN3O3
Molecular Weight345.10 g/mol
Exact Mass344.96
IUPAC Name2-hydroxy-5-iodo-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
SMILESCc1noc(NC(=O)c2cc(I)ccc2O)n1
InChIInChI=1S/C10H8IN3O3/c1-5-12-10(17-14-5)13-9(16)7-4-6(11)2-3-8(7)15/h2-4,15H,1H3,(H,12,13,14,16)
InChIKeyPEZLEYSJBAYROE-UHFFFAOYSA-N
XLogP1.94
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.10
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-5-methoxy-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 115589350
4-bromo-3-hydroxy-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 103872563
2-hydroxy-4-methoxy-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 113346342
2-hydroxy-5-iodo-N-(4-iodo-2-methylphenyl)benzamide
CID 86251688
3-hydroxy-4-methoxy-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 115674958
3,5-dihydroxy-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 104938878
2-hydroxy-5-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 37018478
2-fluoro-3-methyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 115696967
N-(2-amino-4,5-dimethylphenyl)-2-hydroxy-5-iodobenzamide
CID 107731159
N-(2,6-dibromo-4-methylphenyl)-2-hydroxy-5-iodobenzamide
CID 107731650
3,6-dimethyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)carbamoyl]benzoic acid
CID 103429396
2-chloro-N-(3-methyl-1,2,4-oxadiazol-5-yl)-5-nitrobenzamide
CID 113234585

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-iodo-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide?
The IUPAC name of 2-hydroxy-5-iodo-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide (CID 103520316) is 2-hydroxy-5-iodo-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide.
What is the SMILES notation for 2-hydroxy-5-iodo-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide?
The canonical SMILES for 2-hydroxy-5-iodo-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide is Cc1noc(NC(=O)c2cc(I)ccc2O)n1.
What is the InChIKey of 2-hydroxy-5-iodo-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide?
The InChIKey is PEZLEYSJBAYROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8IN3O3/c1-5-12-10(17-14-5)13-9(16)7-4-6(11)2-3-8(7)15/h2-4,15H,1H3,(H,12,13,14,16).
What are the key properties of 2-hydroxy-5-iodo-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide?
2-hydroxy-5-iodo-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide has a molecular weight of 345.10 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-iodo-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide is sourced from PubChem (CID 103520316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).