N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-chloro-1-benzothiophene-2-carboxamide

C15H7BrClN3O3S — CID 43972655

IUPACN-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-chloro-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1nnc(-c2ccc(Br)o2)o1)c1sc2ccccc2c1Cl
InChIInChI=1S/C15H7BrClN3O3S/c16-10-6-5-8(22-10)14-19-20-15(23-14)18-13(21)12-11(17)7-3-1-2-4-9(7)24-12/h1-6H,(H,18,20,21)
InChIKeyBOIRLTOMWRYUTB-UHFFFAOYSA-N
MW424.66 g/mol
LogP5.21
Rot. Bonds3

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

N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-chloro-1-benzothiophene-2-carboxamide (PubChem CID 43972655) has the molecular formula C15H7BrClN3O3S and a molecular weight of 424.66 g/mol. Its IUPAC name is N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-chloro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-chloro-1-benzothiophene-2-carboxamide
PubChem CID43972655
Molecular FormulaC15H7BrClN3O3S
Molecular Weight424.66 g/mol
Exact Mass422.91
IUPAC NameN-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-chloro-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1nnc(-c2ccc(Br)o2)o1)c1sc2ccccc2c1Cl
InChIInChI=1S/C15H7BrClN3O3S/c16-10-6-5-8(22-10)14-19-20-15(23-14)18-13(21)12-11(17)7-3-1-2-4-9(7)24-12/h1-6H,(H,18,20,21)
InChIKeyBOIRLTOMWRYUTB-UHFFFAOYSA-N
XLogP5.21
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.66
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-chloro-1-benzothiophene-2-carboxamide with MolForge

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Related Compounds

3-chloro-N-[5-(6-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-1-benzothiophene-2-carboxamide
CID 56763933
3-chloro-N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1-benzothiophene-2-carboxamide
CID 16821785
3-chloro-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1-benzothiophene-2-carboxamide
CID 16821831
N-(5-benzyl-1,3,4-oxadiazol-2-yl)-3-chloro-1-benzothiophene-2-carboxamide
CID 16917365
N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-iodobenzamide
CID 43972703
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-chloro-6-fluorobenzamide
CID 43972821
N-(2-bromophenyl)-3-chloro-1-benzothiophene-2-carboxamide
CID 606808
4-acetyl-N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43972644
3-chloro-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
CID 2851499
3-chloro-N-(4-phenylphenyl)-1-benzothiophene-2-carboxamide
CID 3128607
N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-(2-chlorophenyl)prop-2-enamide
CID 71962268

Frequently Asked Questions

What is the IUPAC name of N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-chloro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-chloro-1-benzothiophene-2-carboxamide (CID 43972655) is N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-chloro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-chloro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-chloro-1-benzothiophene-2-carboxamide is O=C(Nc1nnc(-c2ccc(Br)o2)o1)c1sc2ccccc2c1Cl.
What is the InChIKey of N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-chloro-1-benzothiophene-2-carboxamide?
The InChIKey is BOIRLTOMWRYUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7BrClN3O3S/c16-10-6-5-8(22-10)14-19-20-15(23-14)18-13(21)12-11(17)7-3-1-2-4-9(7)24-12/h1-6H,(H,18,20,21).
What are the key properties of N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-chloro-1-benzothiophene-2-carboxamide?
N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-chloro-1-benzothiophene-2-carboxamide has a molecular weight of 424.66 g/mol, XLogP of 5.21, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-chloro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 43972655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).