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

C20H17BrN4O2 — CID 53028024

IUPACN-[(3-bromophenyl)methyl]-2-[3-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide
SMILESCc1nnc(-c2cn(CC(=O)NCc3cccc(Br)c3)c3ccccc23)o1
InChIInChI=1S/C20H17BrN4O2/c1-13-23-24-20(27-13)17-11-25(18-8-3-2-7-16(17)18)12-19(26)22-10-14-5-4-6-15(21)9-14/h2-9,11H,10,12H2,1H3,(H,22,26)
InChIKeyYIQQLCKJQUREGF-UHFFFAOYSA-N
MW425.29 g/mol
LogP4.08
Rot. Bonds5

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

N-[(3-bromophenyl)methyl]-2-[3-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide (PubChem CID 53028024) has the molecular formula C20H17BrN4O2 and a molecular weight of 425.29 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-2-[3-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-2-[3-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide
PubChem CID53028024
Molecular FormulaC20H17BrN4O2
Molecular Weight425.29 g/mol
Exact Mass424.05
IUPAC NameN-[(3-bromophenyl)methyl]-2-[3-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide
SMILESCc1nnc(-c2cn(CC(=O)NCc3cccc(Br)c3)c3ccccc23)o1
InChIInChI=1S/C20H17BrN4O2/c1-13-23-24-20(27-13)17-11-25(18-8-3-2-7-16(17)18)12-19(26)22-10-14-5-4-6-15(21)9-14/h2-9,11H,10,12H2,1H3,(H,22,26)
InChIKeyYIQQLCKJQUREGF-UHFFFAOYSA-N
XLogP4.08
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 ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-phenylacetamide
CID 42111225
N-(3-bromophenyl)-2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide
CID 53006638
1-(azepan-1-yl)-2-[3-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone
CID 53027989
N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide
CID 20933469
2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-[(3-methylphenyl)methyl]acetamide
CID 53114498
N-[(3-bromophenyl)methyl]-2-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2,5-dimethylpyrrol-1-yl]acetamide
CID 53155318
2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-[(2-fluorophenyl)methyl]acetamide
CID 53027972
N-[(4-methylphenyl)methyl]-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide
CID 46385224
N-[(2S)-butan-2-yl]-2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide
CID 93058091
N-ethyl-2-[3-[5-(piperidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide
CID 46385202
N-[(3-bromophenyl)methyl]-3-(1-ethylindol-3-yl)propanamide
CID 20899803
2-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-5-methyl-1,3,4-oxadiazole
CID 70677889

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-2-[3-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide?
The IUPAC name of N-[(3-bromophenyl)methyl]-2-[3-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide (CID 53028024) is N-[(3-bromophenyl)methyl]-2-[3-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-2-[3-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-2-[3-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide is Cc1nnc(-c2cn(CC(=O)NCc3cccc(Br)c3)c3ccccc23)o1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-2-[3-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide?
The InChIKey is YIQQLCKJQUREGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN4O2/c1-13-23-24-20(27-13)17-11-25(18-8-3-2-7-16(17)18)12-19(26)22-10-14-5-4-6-15(21)9-14/h2-9,11H,10,12H2,1H3,(H,22,26).
What are the key properties of N-[(3-bromophenyl)methyl]-2-[3-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide?
N-[(3-bromophenyl)methyl]-2-[3-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide has a molecular weight of 425.29 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-2-[3-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide is sourced from PubChem (CID 53028024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).