2-(4-bromobenzoyl)-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]benzamide

C21H20BrN3O3 — CID 86974159

IUPAC2-(4-bromobenzoyl)-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
SMILESCC(C)(C)c1nc(CNC(=O)c2ccccc2C(=O)c2ccc(Br)cc2)no1
InChIInChI=1S/C21H20BrN3O3/c1-21(2,3)20-24-17(25-28-20)12-23-19(27)16-7-5-4-6-15(16)18(26)13-8-10-14(22)11-9-13/h4-11H,12H2,1-3H3,(H,23,27)
InChIKeyBFZAAKRGFDWJSX-UHFFFAOYSA-N
MW442.31 g/mol
LogP4.29
Rot. Bonds5

About 2-(4-bromobenzoyl)-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]benzamide

2-(4-bromobenzoyl)-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]benzamide (PubChem CID 86974159) has the molecular formula C21H20BrN3O3 and a molecular weight of 442.31 g/mol. Its IUPAC name is 2-(4-bromobenzoyl)-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name2-(4-bromobenzoyl)-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
PubChem CID86974159
Molecular FormulaC21H20BrN3O3
Molecular Weight442.31 g/mol
Exact Mass441.07
IUPAC Name2-(4-bromobenzoyl)-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
SMILESCC(C)(C)c1nc(CNC(=O)c2ccccc2C(=O)c2ccc(Br)cc2)no1
InChIInChI=1S/C21H20BrN3O3/c1-21(2,3)20-24-17(25-28-20)12-23-19(27)16-7-5-4-6-15(16)18(26)13-8-10-14(22)11-9-13/h4-11H,12H2,1-3H3,(H,23,27)
InChIKeyBFZAAKRGFDWJSX-UHFFFAOYSA-N
XLogP4.29
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.31
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-bromobenzoyl)-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylbenzamide
CID 110294288
N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 86974071
4-tert-butyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 4233230
2-bromo-N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 3903910
1-benzyl-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-methoxyphenyl)pyrazole-4-carboxamide
CID 86974156
N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 86974213
1-benzyl-3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylguanidine
CID 111621022
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-4-chlorobenzamide
CID 110294332
N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
CID 86974087
1-benzyl-3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-hydroxyethyl)urea
CID 111619386
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(dimethylamino)pyridine-3-carboxamide
CID 110311138
2-(4-bromobenzoyl)-N-[[3-(methanesulfonamido)phenyl]methyl]benzamide
CID 32535159

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromobenzoyl)-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]benzamide?
The IUPAC name of 2-(4-bromobenzoyl)-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]benzamide (CID 86974159) is 2-(4-bromobenzoyl)-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]benzamide.
What is the SMILES notation for 2-(4-bromobenzoyl)-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]benzamide?
The canonical SMILES for 2-(4-bromobenzoyl)-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]benzamide is CC(C)(C)c1nc(CNC(=O)c2ccccc2C(=O)c2ccc(Br)cc2)no1.
What is the InChIKey of 2-(4-bromobenzoyl)-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]benzamide?
The InChIKey is BFZAAKRGFDWJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrN3O3/c1-21(2,3)20-24-17(25-28-20)12-23-19(27)16-7-5-4-6-15(16)18(26)13-8-10-14(22)11-9-13/h4-11H,12H2,1-3H3,(H,23,27).
What are the key properties of 2-(4-bromobenzoyl)-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]benzamide?
2-(4-bromobenzoyl)-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]benzamide has a molecular weight of 442.31 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromobenzoyl)-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]benzamide is sourced from PubChem (CID 86974159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).