2-[5-(5-bromofuran-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(5-chloro-2,4-dimethoxyphenyl)acetamide

C16H13BrClN3O6 — CID 3323079

IUPAC2-[5-(5-bromofuran-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(5-chloro-2,4-dimethoxyphenyl)acetamide
SMILESCOc1cc(OC)c(NC(=O)Cn2nc(-c3ccc(Br)o3)oc2=O)cc1Cl
InChIInChI=1S/C16H13BrClN3O6/c1-24-11-6-12(25-2)9(5-8(11)18)19-14(22)7-21-16(23)27-15(20-21)10-3-4-13(17)26-10/h3-6H,7H2,1-2H3,(H,19,22)
InChIKeyMYCYZKQAEWUCMI-UHFFFAOYSA-N
MW458.65 g/mol
LogP3.17
Rot. Bonds6

About 2-[5-(5-bromofuran-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(5-chloro-2,4-dimethoxyphenyl)acetamide

2-[5-(5-bromofuran-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(5-chloro-2,4-dimethoxyphenyl)acetamide (PubChem CID 3323079) has the molecular formula C16H13BrClN3O6 and a molecular weight of 458.65 g/mol. Its IUPAC name is 2-[5-(5-bromofuran-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(5-chloro-2,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[5-(5-bromofuran-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(5-chloro-2,4-dimethoxyphenyl)acetamide
PubChem CID3323079
Molecular FormulaC16H13BrClN3O6
Molecular Weight458.65 g/mol
Exact Mass456.97
IUPAC Name2-[5-(5-bromofuran-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(5-chloro-2,4-dimethoxyphenyl)acetamide
SMILESCOc1cc(OC)c(NC(=O)Cn2nc(-c3ccc(Br)o3)oc2=O)cc1Cl
InChIInChI=1S/C16H13BrClN3O6/c1-24-11-6-12(25-2)9(5-8(11)18)19-14(22)7-21-16(23)27-15(20-21)10-3-4-13(17)26-10/h3-6H,7H2,1-2H3,(H,19,22)
InChIKeyMYCYZKQAEWUCMI-UHFFFAOYSA-N
XLogP3.17
TPSA108.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.65
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[5-(5-bromofuran-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide
CID 3810645
N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 26877145
N-(5-chloro-2,4-dimethoxyphenyl)-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
CID 20867752
N-(5-chloro-2,4-dimethoxyphenyl)-2-(1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)acetamide
CID 53111845
2-[5-(5-bromofuran-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 3706333
2-amino-N-(5-chloro-2,4-dimethoxyphenyl)acetamide
CID 24690060
N-(5-chloro-2,4-dimethoxyphenyl)-2-methoxyacetamide
CID 836298
N-(5-chloro-2,4-dimethoxyphenyl)-2-(2-naphthalen-1-yl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
CID 53331153
2-(3-aminopyrazol-1-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 62102210
2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(5-chloro-2,4-dimethoxyphenyl)acetamide
CID 46665897
N-(5-chloro-2,4-dimethoxyphenyl)-2-(4-oxoquinolin-1-yl)acetamide
CID 47780117
N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]acetamide
CID 50821389

Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-bromofuran-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(5-chloro-2,4-dimethoxyphenyl)acetamide?
The IUPAC name of 2-[5-(5-bromofuran-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(5-chloro-2,4-dimethoxyphenyl)acetamide (CID 3323079) is 2-[5-(5-bromofuran-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(5-chloro-2,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[5-(5-bromofuran-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(5-chloro-2,4-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-[5-(5-bromofuran-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(5-chloro-2,4-dimethoxyphenyl)acetamide is COc1cc(OC)c(NC(=O)Cn2nc(-c3ccc(Br)o3)oc2=O)cc1Cl.
What is the InChIKey of 2-[5-(5-bromofuran-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(5-chloro-2,4-dimethoxyphenyl)acetamide?
The InChIKey is MYCYZKQAEWUCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrClN3O6/c1-24-11-6-12(25-2)9(5-8(11)18)19-14(22)7-21-16(23)27-15(20-21)10-3-4-13(17)26-10/h3-6H,7H2,1-2H3,(H,19,22).
What are the key properties of 2-[5-(5-bromofuran-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(5-chloro-2,4-dimethoxyphenyl)acetamide?
2-[5-(5-bromofuran-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(5-chloro-2,4-dimethoxyphenyl)acetamide has a molecular weight of 458.65 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-bromofuran-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(5-chloro-2,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 3323079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).