2-(3-bromo-2-methylindol-1-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide

C20H17BrN4O2 — CID 71939768

IUPAC2-(3-bromo-2-methylindol-1-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
SMILESCc1c(Br)c2ccccc2n1CC(=O)NCc1nc(-c2ccccc2)no1
InChIInChI=1S/C20H17BrN4O2/c1-13-19(21)15-9-5-6-10-16(15)25(13)12-17(26)22-11-18-23-20(24-27-18)14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H,22,26)
InChIKeyAMCUPXHZLYEHGP-UHFFFAOYSA-N
MW425.29 g/mol
LogP4.08
Rot. Bonds5

About 2-(3-bromo-2-methylindol-1-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide

2-(3-bromo-2-methylindol-1-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide (PubChem CID 71939768) has the molecular formula C20H17BrN4O2 and a molecular weight of 425.29 g/mol. Its IUPAC name is 2-(3-bromo-2-methylindol-1-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-bromo-2-methylindol-1-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
PubChem CID71939768
Molecular FormulaC20H17BrN4O2
Molecular Weight425.29 g/mol
Exact Mass424.05
IUPAC Name2-(3-bromo-2-methylindol-1-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
SMILESCc1c(Br)c2ccccc2n1CC(=O)NCc1nc(-c2ccccc2)no1
InChIInChI=1S/C20H17BrN4O2/c1-13-19(21)15-9-5-6-10-16(15)25(13)12-17(26)22-11-18-23-20(24-27-18)14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H,22,26)
InChIKeyAMCUPXHZLYEHGP-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

3-amino-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 71668568
2-[[2-(3-bromo-2-methylindol-1-yl)acetyl]amino]propanoic acid
CID 119225645
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 46964298
2-(2,5-dimethylphenyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 50875120
2-(3-bromo-2-methylindol-1-yl)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 55859179
2-(3-bromo-2-methylindol-1-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]acetamide
CID 55813717
1-[[2-(3-bromo-2-methylindol-1-yl)acetyl]amino]-3-methylurea
CID 47383615
2-(3,5-dimethylphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 1251850
2-(3-bromo-2-methylindol-1-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 47049057
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[[3-(2-oxo-1H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 91818686
2-amino-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 83624712
2,4,5-trimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 100711700

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-methylindol-1-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The IUPAC name of 2-(3-bromo-2-methylindol-1-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide (CID 71939768) is 2-(3-bromo-2-methylindol-1-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-(3-bromo-2-methylindol-1-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-(3-bromo-2-methylindol-1-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide is Cc1c(Br)c2ccccc2n1CC(=O)NCc1nc(-c2ccccc2)no1.
What is the InChIKey of 2-(3-bromo-2-methylindol-1-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The InChIKey is AMCUPXHZLYEHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN4O2/c1-13-19(21)15-9-5-6-10-16(15)25(13)12-17(26)22-11-18-23-20(24-27-18)14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H,22,26).
What are the key properties of 2-(3-bromo-2-methylindol-1-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
2-(3-bromo-2-methylindol-1-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]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 2-(3-bromo-2-methylindol-1-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide is sourced from PubChem (CID 71939768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).