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

C11H10IN3O2 — CID 61400580

IUPAC3-iodo-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
SMILESCc1noc(CNC(=O)c2cccc(I)c2)n1
InChIInChI=1S/C11H10IN3O2/c1-7-14-10(17-15-7)6-13-11(16)8-3-2-4-9(12)5-8/h2-5H,6H2,1H3,(H,13,16)
InChIKeyUYVQRDWDYPDFQR-UHFFFAOYSA-N
MW343.12 g/mol
LogP1.91
Rot. Bonds3

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

3-iodo-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide (PubChem CID 61400580) has the molecular formula C11H10IN3O2 and a molecular weight of 343.12 g/mol. Its IUPAC name is 3-iodo-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name3-iodo-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
PubChem CID61400580
Molecular FormulaC11H10IN3O2
Molecular Weight343.12 g/mol
Exact Mass342.98
IUPAC Name3-iodo-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
SMILESCc1noc(CNC(=O)c2cccc(I)c2)n1
InChIInChI=1S/C11H10IN3O2/c1-7-14-10(17-15-7)6-13-11(16)8-3-2-4-9(12)5-8/h2-5H,6H2,1H3,(H,13,16)
InChIKeyUYVQRDWDYPDFQR-UHFFFAOYSA-N
XLogP1.91
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.12
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-4-iodo-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 104627817
3-(N'-hydroxycarbamimidoyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 76927062
3-amino-4-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 61139818
4-amino-3,5-dichloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 82832642
6-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-2-carboxamide
CID 55052629
2-fluoro-6-hydroxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 104917845
3-methyl-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 6459787
4-(methylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-2-carboxamide
CID 62176835
2-amino-3-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 113331710
3-bromo-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-2-carboxamide
CID 107518684
3-iodo-N-[[2-(methoxymethyl)phenyl]methyl]benzamide
CID 32602369
N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-iodobenzamide
CID 31217494

Frequently Asked Questions

What is the IUPAC name of 3-iodo-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide?
The IUPAC name of 3-iodo-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide (CID 61400580) is 3-iodo-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide.
What is the SMILES notation for 3-iodo-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide?
The canonical SMILES for 3-iodo-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide is Cc1noc(CNC(=O)c2cccc(I)c2)n1.
What is the InChIKey of 3-iodo-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide?
The InChIKey is UYVQRDWDYPDFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10IN3O2/c1-7-14-10(17-15-7)6-13-11(16)8-3-2-4-9(12)5-8/h2-5H,6H2,1H3,(H,13,16).
What are the key properties of 3-iodo-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide?
3-iodo-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide has a molecular weight of 343.12 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide is sourced from PubChem (CID 61400580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).