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

C13H6Br2ClN3O3 — CID 43972822

IUPAC5-bromo-N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-chlorobenzamide
SMILESO=C(Nc1nnc(-c2ccc(Br)o2)o1)c1cc(Br)ccc1Cl
InChIInChI=1S/C13H6Br2ClN3O3/c14-6-1-2-8(16)7(5-6)11(20)17-13-19-18-12(22-13)9-3-4-10(15)21-9/h1-5H,(H,17,19,20)
InChIKeyRUPBKSDFFVSHHK-UHFFFAOYSA-N
MW447.47 g/mol
LogP4.76
Rot. Bonds3

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

5-bromo-N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-chlorobenzamide (PubChem CID 43972822) has the molecular formula C13H6Br2ClN3O3 and a molecular weight of 447.47 g/mol. Its IUPAC name is 5-bromo-N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-chlorobenzamide.

Molecular Properties

Compound Name5-bromo-N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-chlorobenzamide
PubChem CID43972822
Molecular FormulaC13H6Br2ClN3O3
Molecular Weight447.47 g/mol
Exact Mass444.85
IUPAC Name5-bromo-N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-chlorobenzamide
SMILESO=C(Nc1nnc(-c2ccc(Br)o2)o1)c1cc(Br)ccc1Cl
InChIInChI=1S/C13H6Br2ClN3O3/c14-6-1-2-8(16)7(5-6)11(20)17-13-19-18-12(22-13)9-3-4-10(15)21-9/h1-5H,(H,17,19,20)
InChIKeyRUPBKSDFFVSHHK-UHFFFAOYSA-N
XLogP4.76
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.47
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2,5-dichlorothiophene-3-carboxamide
CID 43972670
N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-iodobenzamide
CID 43972703
N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-chloro-6-fluorobenzamide
CID 43972821
5-bromo-2-chloro-N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43975783
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-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-2,4-dichlorobenzamide
CID 16821869
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]-3-chloro-1-benzothiophene-2-carboxamide
CID 43972655
2,5-dichloro-N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 4122330
N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-(2-chlorophenyl)prop-2-enamide
CID 71962268
5-bromo-2-chloro-N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43974453

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-chlorobenzamide?
The IUPAC name of 5-bromo-N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-chlorobenzamide (CID 43972822) is 5-bromo-N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-chlorobenzamide.
What is the SMILES notation for 5-bromo-N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-chlorobenzamide?
The canonical SMILES for 5-bromo-N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-chlorobenzamide is O=C(Nc1nnc(-c2ccc(Br)o2)o1)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-chlorobenzamide?
The InChIKey is RUPBKSDFFVSHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Br2ClN3O3/c14-6-1-2-8(16)7(5-6)11(20)17-13-19-18-12(22-13)9-3-4-10(15)21-9/h1-5H,(H,17,19,20).
What are the key properties of 5-bromo-N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-chlorobenzamide?
5-bromo-N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-chlorobenzamide has a molecular weight of 447.47 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-chlorobenzamide is sourced from PubChem (CID 43972822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).