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

C21H18ClN5O2 — CID 53178229

IUPACN-(3-chlorophenyl)-2-[2-methyl-4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]acetamide
SMILESCc1cccc(-c2nc(-c3cn(CC(=O)Nc4cccc(Cl)c4)c(C)n3)no2)c1
InChIInChI=1S/C21H18ClN5O2/c1-13-5-3-6-15(9-13)21-25-20(26-29-21)18-11-27(14(2)23-18)12-19(28)24-17-8-4-7-16(22)10-17/h3-11H,12H2,1-2H3,(H,24,28)
InChIKeyXWHFHRGIWMOQOK-UHFFFAOYSA-N
MW407.86 g/mol
LogP4.51
Rot. Bonds5

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

N-(3-chlorophenyl)-2-[2-methyl-4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]acetamide (PubChem CID 53178229) has the molecular formula C21H18ClN5O2 and a molecular weight of 407.86 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[2-methyl-4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[2-methyl-4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]acetamide
PubChem CID53178229
Molecular FormulaC21H18ClN5O2
Molecular Weight407.86 g/mol
Exact Mass407.11
IUPAC NameN-(3-chlorophenyl)-2-[2-methyl-4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]acetamide
SMILESCc1cccc(-c2nc(-c3cn(CC(=O)Nc4cccc(Cl)c4)c(C)n3)no2)c1
InChIInChI=1S/C21H18ClN5O2/c1-13-5-3-6-15(9-13)21-25-20(26-29-21)18-11-27(14(2)23-18)12-19(28)24-17-8-4-7-16(22)10-17/h3-11H,12H2,1-2H3,(H,24,28)
InChIKeyXWHFHRGIWMOQOK-UHFFFAOYSA-N
XLogP4.51
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.86
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methylphenyl)-2-[2-methyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
CID 53178027
N-(3-fluorophenyl)-2-[2-methyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
CID 53178042
N-(3-fluorophenyl)-2-[2-methyl-4-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
CID 53178108
N-(3-chlorophenyl)-2-[3-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 45032393
N-(3,5-dimethylphenyl)-2-[2-methyl-4-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
CID 53178074
N-(2,4-dimethylphenyl)-2-[2-methyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
CID 53178029
N-(2-fluoro-4-methylphenyl)-2-[2-methyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
CID 53178050
N-(4-methylphenyl)-2-[2-methyl-4-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
CID 53178061
N-(2,5-difluorophenyl)-2-[2-methyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
CID 53331457
N-(3-chlorophenyl)-2-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 50746167
2-[5-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(3-chlorophenyl)acetamide
CID 51366667
2-[5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(3-methylsulfanylphenyl)acetamide
CID 51366791

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[2-methyl-4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[2-methyl-4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]acetamide (CID 53178229) is N-(3-chlorophenyl)-2-[2-methyl-4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[2-methyl-4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[2-methyl-4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]acetamide is Cc1cccc(-c2nc(-c3cn(CC(=O)Nc4cccc(Cl)c4)c(C)n3)no2)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-[2-methyl-4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]acetamide?
The InChIKey is XWHFHRGIWMOQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN5O2/c1-13-5-3-6-15(9-13)21-25-20(26-29-21)18-11-27(14(2)23-18)12-19(28)24-17-8-4-7-16(22)10-17/h3-11H,12H2,1-2H3,(H,24,28).
What are the key properties of N-(3-chlorophenyl)-2-[2-methyl-4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]acetamide?
N-(3-chlorophenyl)-2-[2-methyl-4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]acetamide has a molecular weight of 407.86 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[2-methyl-4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]acetamide is sourced from PubChem (CID 53178229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).