N-(3-bromophenyl)-2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide

C20H17BrN4O2 — CID 53006638

IUPACN-(3-bromophenyl)-2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide
SMILESCCc1nnc(-c2cn(CC(=O)Nc3cccc(Br)c3)c3ccccc23)o1
InChIInChI=1S/C20H17BrN4O2/c1-2-19-23-24-20(27-19)16-11-25(17-9-4-3-8-15(16)17)12-18(26)22-14-7-5-6-13(21)10-14/h3-11H,2,12H2,1H3,(H,22,26)
InChIKeyOZVSGUNCVWYZAZ-UHFFFAOYSA-N
MW425.29 g/mol
LogP4.65
Rot. Bonds5

About N-(3-bromophenyl)-2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide

N-(3-bromophenyl)-2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide (PubChem CID 53006638) has the molecular formula C20H17BrN4O2 and a molecular weight of 425.29 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide
PubChem CID53006638
Molecular FormulaC20H17BrN4O2
Molecular Weight425.29 g/mol
Exact Mass424.05
IUPAC NameN-(3-bromophenyl)-2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide
SMILESCCc1nnc(-c2cn(CC(=O)Nc3cccc(Br)c3)c3ccccc23)o1
InChIInChI=1S/C20H17BrN4O2/c1-2-19-23-24-20(27-19)16-11-25(17-9-4-3-8-15(16)17)12-18(26)22-14-7-5-6-13(21)10-14/h3-11H,2,12H2,1H3,(H,22,26)
InChIKeyOZVSGUNCVWYZAZ-UHFFFAOYSA-N
XLogP4.65
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.29
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-(4-sulfamoylphenyl)acetamide
CID 53071585
N-[(2S)-butan-2-yl]-2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide
CID 93058091
N-cyclopropyl-2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide
CID 53027959
2-[3-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-phenylacetamide
CID 42111225
N-[(3-bromophenyl)methyl]-2-[3-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide
CID 53028024
2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-[(2-fluorophenyl)methyl]acetamide
CID 53027972
2-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-oxo-1-pyridinyl]-N-(3-methylphenyl)acetamide
CID 53040373
N-(3-bromophenyl)-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30559570
N-ethyl-2-[3-[5-(piperidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide
CID 46385202
N-(4-methoxyphenyl)-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide
CID 46385209
N-(3-chlorophenyl)-2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide
CID 53114501
N-(3-bromophenyl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30560732

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide?
The IUPAC name of N-(3-bromophenyl)-2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide (CID 53006638) is N-(3-bromophenyl)-2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide is CCc1nnc(-c2cn(CC(=O)Nc3cccc(Br)c3)c3ccccc23)o1.
What is the InChIKey of N-(3-bromophenyl)-2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide?
The InChIKey is OZVSGUNCVWYZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN4O2/c1-2-19-23-24-20(27-19)16-11-25(17-9-4-3-8-15(16)17)12-18(26)22-14-7-5-6-13(21)10-14/h3-11H,2,12H2,1H3,(H,22,26).
What are the key properties of N-(3-bromophenyl)-2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide?
N-(3-bromophenyl)-2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide has a molecular weight of 425.29 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide is sourced from PubChem (CID 53006638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).