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

C20H16BrN5O2 — CID 53178172

IUPACN-(3-bromophenyl)-2-[4-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]acetamide
SMILESCc1ccccc1-c1nc(-c2cn(CC(=O)Nc3cccc(Br)c3)cn2)no1
InChIInChI=1S/C20H16BrN5O2/c1-13-5-2-3-8-16(13)20-24-19(25-28-20)17-10-26(12-22-17)11-18(27)23-15-7-4-6-14(21)9-15/h2-10,12H,11H2,1H3,(H,23,27)
InChIKeyINDYBIURJXMYKA-UHFFFAOYSA-N
MW438.29 g/mol
LogP4.31
Rot. Bonds5

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

N-(3-bromophenyl)-2-[4-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]acetamide (PubChem CID 53178172) has the molecular formula C20H16BrN5O2 and a molecular weight of 438.29 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-[4-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-[4-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]acetamide
PubChem CID53178172
Molecular FormulaC20H16BrN5O2
Molecular Weight438.29 g/mol
Exact Mass437.05
IUPAC NameN-(3-bromophenyl)-2-[4-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]acetamide
SMILESCc1ccccc1-c1nc(-c2cn(CC(=O)Nc3cccc(Br)c3)cn2)no1
InChIInChI=1S/C20H16BrN5O2/c1-13-5-2-3-8-16(13)20-24-19(25-28-20)17-10-26(12-22-17)11-18(27)23-15-7-4-6-14(21)9-15/h2-10,12H,11H2,1H3,(H,23,27)
InChIKeyINDYBIURJXMYKA-UHFFFAOYSA-N
XLogP4.31
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.29
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3-bromophenyl)-2-[4-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]acetamide 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-(3-bromophenyl)-2-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]acetamide
CID 53178155
N-(3-methylphenyl)-2-[4-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
CID 53177955
N-(3-methoxyphenyl)-2-[4-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
CID 53177946
2-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]-N-(2-methylphenyl)acetamide
CID 53178126
N-(3,4-difluorophenyl)-2-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
CID 53177910
N-phenyl-2-[4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
CID 53177985
N-(2,3-dimethylphenyl)-2-[4-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
CID 53177935
N-(3-methylphenyl)-2-[3-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 45032399
N-(3-methylphenyl)-2-[2-methyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
CID 53178027
N-(3-acetylphenyl)-2-[3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide
CID 53100913
4-bromo-N-[4-[[4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]benzamide
CID 46295602
N-(2-fluorophenyl)-2-[4-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
CID 53177956

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-[4-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]acetamide?
The IUPAC name of N-(3-bromophenyl)-2-[4-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]acetamide (CID 53178172) is N-(3-bromophenyl)-2-[4-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-[4-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-[4-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]acetamide is Cc1ccccc1-c1nc(-c2cn(CC(=O)Nc3cccc(Br)c3)cn2)no1.
What is the InChIKey of N-(3-bromophenyl)-2-[4-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]acetamide?
The InChIKey is INDYBIURJXMYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrN5O2/c1-13-5-2-3-8-16(13)20-24-19(25-28-20)17-10-26(12-22-17)11-18(27)23-15-7-4-6-14(21)9-15/h2-10,12H,11H2,1H3,(H,23,27).
What are the key properties of N-(3-bromophenyl)-2-[4-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]acetamide?
N-(3-bromophenyl)-2-[4-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]acetamide has a molecular weight of 438.29 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-[4-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]acetamide is sourced from PubChem (CID 53178172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).