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

C11H4BrCl2N3O3S — CID 43972670

IUPACN-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2,5-dichlorothiophene-3-carboxamide
SMILESO=C(Nc1nnc(-c2ccc(Br)o2)o1)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H4BrCl2N3O3S/c12-6-2-1-5(19-6)10-16-17-11(20-10)15-9(18)4-3-7(13)21-8(4)14/h1-3H,(H,15,17,18)
InChIKeyOCUJRNILYZAVFW-UHFFFAOYSA-N
MW409.05 g/mol
LogP4.71
Rot. Bonds3

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

N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2,5-dichlorothiophene-3-carboxamide (PubChem CID 43972670) has the molecular formula C11H4BrCl2N3O3S and a molecular weight of 409.05 g/mol. Its IUPAC name is N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2,5-dichlorothiophene-3-carboxamide.

Molecular Properties

Compound NameN-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2,5-dichlorothiophene-3-carboxamide
PubChem CID43972670
Molecular FormulaC11H4BrCl2N3O3S
Molecular Weight409.05 g/mol
Exact Mass406.85
IUPAC NameN-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2,5-dichlorothiophene-3-carboxamide
SMILESO=C(Nc1nnc(-c2ccc(Br)o2)o1)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H4BrCl2N3O3S/c12-6-2-1-5(19-6)10-16-17-11(20-10)15-9(18)4-3-7(13)21-8(4)14/h1-3H,(H,15,17,18)
InChIKeyOCUJRNILYZAVFW-UHFFFAOYSA-N
XLogP4.71
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.05
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-iodobenzamide
CID 43972703
2,5-dichloro-N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]thiophene-3-carboxamide
CID 16823622
2,5-dichloro-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]thiophene-3-carboxamide
CID 16854738
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-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]thiophene-3-carboxamide
CID 3638452
4-acetyl-N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43972644
N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-chloro-6-fluorobenzamide
CID 43972821
methyl 4-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]carbamoyl]benzoate
CID 43972665
N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-2-fluorobenzamide
CID 43972961
5-chloro-N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-2-methoxybenzamide
CID 43973094
N-(5-benzyl-1,3,4-oxadiazol-2-yl)-2,5-dichlorothiophene-3-carboxamide
CID 16917381

Frequently Asked Questions

What is the IUPAC name of N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2,5-dichlorothiophene-3-carboxamide?
The IUPAC name of N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2,5-dichlorothiophene-3-carboxamide (CID 43972670) is N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2,5-dichlorothiophene-3-carboxamide.
What is the SMILES notation for N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2,5-dichlorothiophene-3-carboxamide?
The canonical SMILES for N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2,5-dichlorothiophene-3-carboxamide is O=C(Nc1nnc(-c2ccc(Br)o2)o1)c1cc(Cl)sc1Cl.
What is the InChIKey of N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2,5-dichlorothiophene-3-carboxamide?
The InChIKey is OCUJRNILYZAVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4BrCl2N3O3S/c12-6-2-1-5(19-6)10-16-17-11(20-10)15-9(18)4-3-7(13)21-8(4)14/h1-3H,(H,15,17,18).
What are the key properties of N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2,5-dichlorothiophene-3-carboxamide?
N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2,5-dichlorothiophene-3-carboxamide has a molecular weight of 409.05 g/mol, XLogP of 4.71, 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]-2,5-dichlorothiophene-3-carboxamide is sourced from PubChem (CID 43972670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).