N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-iodobenzamide

C13H7BrIN3O3 — CID 43972703

IUPACN-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-iodobenzamide
SMILESO=C(Nc1nnc(-c2ccc(Br)o2)o1)c1ccccc1I
InChIInChI=1S/C13H7BrIN3O3/c14-10-6-5-9(20-10)12-17-18-13(21-12)16-11(19)7-3-1-2-4-8(7)15/h1-6H,(H,16,18,19)
InChIKeyKRUVTXKGOAAWMZ-UHFFFAOYSA-N
MW460.03 g/mol
LogP3.95
Rot. Bonds3

About N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-iodobenzamide

N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-iodobenzamide (PubChem CID 43972703) has the molecular formula C13H7BrIN3O3 and a molecular weight of 460.03 g/mol. Its IUPAC name is N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-iodobenzamide.

Molecular Properties

Compound NameN-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-iodobenzamide
PubChem CID43972703
Molecular FormulaC13H7BrIN3O3
Molecular Weight460.03 g/mol
Exact Mass458.87
IUPAC NameN-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-iodobenzamide
SMILESO=C(Nc1nnc(-c2ccc(Br)o2)o1)c1ccccc1I
InChIInChI=1S/C13H7BrIN3O3/c14-10-6-5-9(20-10)12-17-18-13(21-12)16-11(19)7-3-1-2-4-8(7)15/h1-6H,(H,16,18,19)
InChIKeyKRUVTXKGOAAWMZ-UHFFFAOYSA-N
XLogP3.95
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.03
LogP ≤ 53.95
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

5-bromo-N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-chlorobenzamide
CID 43972822
N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2,5-dichlorothiophene-3-carboxamide
CID 43972670
2-iodo-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 4536716
4-acetyl-N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43972644
methyl 4-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]carbamoyl]benzoate
CID 43972665
N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-chloro-6-fluorobenzamide
CID 43972821
N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-chloro-1-benzothiophene-2-carboxamide
CID 43972655
N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide
CID 43972580
N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-iodobenzamide
CID 4149199
N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
CID 43972811
N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-ethylpyrazole-3-carboxamide
CID 43972807
N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide
CID 43972651

Frequently Asked Questions

What is the IUPAC name of N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-iodobenzamide?
The IUPAC name of N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-iodobenzamide (CID 43972703) is N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-iodobenzamide.
What is the SMILES notation for N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-iodobenzamide?
The canonical SMILES for N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-iodobenzamide is O=C(Nc1nnc(-c2ccc(Br)o2)o1)c1ccccc1I.
What is the InChIKey of N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-iodobenzamide?
The InChIKey is KRUVTXKGOAAWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrIN3O3/c14-10-6-5-9(20-10)12-17-18-13(21-12)16-11(19)7-3-1-2-4-8(7)15/h1-6H,(H,16,18,19).
What are the key properties of N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-iodobenzamide?
N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-iodobenzamide has a molecular weight of 460.03 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-iodobenzamide is sourced from PubChem (CID 43972703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).