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

C13H8IN3O2S — CID 4536716

IUPAC2-iodo-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
SMILESO=C(Nc1nnc(-c2cccs2)o1)c1ccccc1I
InChIInChI=1S/C13H8IN3O2S/c14-9-5-2-1-4-8(9)11(18)15-13-17-16-12(19-13)10-6-3-7-20-10/h1-7H,(H,15,17,18)
InChIKeyLHIVYOIKTPVKOI-UHFFFAOYSA-N
MW397.20 g/mol
LogP3.65
Rot. Bonds3

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

2-iodo-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 4536716) has the molecular formula C13H8IN3O2S and a molecular weight of 397.20 g/mol. Its IUPAC name is 2-iodo-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-iodo-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
PubChem CID4536716
Molecular FormulaC13H8IN3O2S
Molecular Weight397.20 g/mol
Exact Mass396.94
IUPAC Name2-iodo-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
SMILESO=C(Nc1nnc(-c2cccs2)o1)c1ccccc1I
InChIInChI=1S/C13H8IN3O2S/c14-9-5-2-1-4-8(9)11(18)15-13-17-16-12(19-13)10-6-3-7-20-10/h1-7H,(H,15,17,18)
InChIKeyLHIVYOIKTPVKOI-UHFFFAOYSA-N
XLogP3.65
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.20
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 4078289
2-phenyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)quinoline-4-carboxamide
CID 2104460
4-fluoro-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 4986401
N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-iodobenzamide
CID 43972703
5-chloro-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)thiophene-2-carboxamide
CID 3688984
4-methyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)thiadiazole-5-carboxamide
CID 45496806
3,5-dinitro-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 4536722
4-propan-2-ylsulfanyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 18587122
1-cyclopentyl-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)urea
CID 52906577
N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 155235610
N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-iodobenzamide
CID 4149199
N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)thiophene-2-carboxamide
CID 6852040

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of 2-iodo-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide (CID 4536716) is 2-iodo-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for 2-iodo-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for 2-iodo-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide is O=C(Nc1nnc(-c2cccs2)o1)c1ccccc1I.
What is the InChIKey of 2-iodo-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is LHIVYOIKTPVKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8IN3O2S/c14-9-5-2-1-4-8(9)11(18)15-13-17-16-12(19-13)10-6-3-7-20-10/h1-7H,(H,15,17,18).
What are the key properties of 2-iodo-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
2-iodo-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 397.20 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 4536716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).