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

C21H18FN5O2 — CID 53178050

IUPACN-(2-fluoro-4-methylphenyl)-2-[2-methyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
SMILESCc1ccc(NC(=O)Cn2cc(-c3noc(-c4ccccc4)n3)nc2C)c(F)c1
InChIInChI=1S/C21H18FN5O2/c1-13-8-9-17(16(22)10-13)24-19(28)12-27-11-18(23-14(27)2)20-25-21(29-26-20)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,24,28)
InChIKeySPUAKHZYEYJGKP-UHFFFAOYSA-N
MW391.41 g/mol
LogP3.99
Rot. Bonds5

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

N-(2-fluoro-4-methylphenyl)-2-[2-methyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide (PubChem CID 53178050) has the molecular formula C21H18FN5O2 and a molecular weight of 391.41 g/mol. Its IUPAC name is N-(2-fluoro-4-methylphenyl)-2-[2-methyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-fluoro-4-methylphenyl)-2-[2-methyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
PubChem CID53178050
Molecular FormulaC21H18FN5O2
Molecular Weight391.41 g/mol
Exact Mass391.14
IUPAC NameN-(2-fluoro-4-methylphenyl)-2-[2-methyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
SMILESCc1ccc(NC(=O)Cn2cc(-c3noc(-c4ccccc4)n3)nc2C)c(F)c1
InChIInChI=1S/C21H18FN5O2/c1-13-8-9-17(16(22)10-13)24-19(28)12-27-11-18(23-14(27)2)20-25-21(29-26-20)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,24,28)
InChIKeySPUAKHZYEYJGKP-UHFFFAOYSA-N
XLogP3.99
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.41
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-dimethylphenyl)-2-[2-methyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
CID 53178029
N-(2,5-difluorophenyl)-2-[2-methyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
CID 53331457
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-[2-methyl-4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]acetamide
CID 53178229
N-(4-methylphenyl)-2-[2-methyl-4-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
CID 53178061
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-(4-bromo-2-fluorophenyl)-2-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide
CID 27373566
2-[2-methyl-4-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]-N-(1-phenylethyl)acetamide
CID 53178084
N-(2-fluoro-4-methylphenyl)-2-[2-oxo-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide
CID 51369651
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-(2-fluoro-4-methylphenyl)-2-[2-methyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide?
The IUPAC name of N-(2-fluoro-4-methylphenyl)-2-[2-methyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide (CID 53178050) is N-(2-fluoro-4-methylphenyl)-2-[2-methyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide.
What is the SMILES notation for N-(2-fluoro-4-methylphenyl)-2-[2-methyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide?
The canonical SMILES for N-(2-fluoro-4-methylphenyl)-2-[2-methyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide is Cc1ccc(NC(=O)Cn2cc(-c3noc(-c4ccccc4)n3)nc2C)c(F)c1.
What is the InChIKey of N-(2-fluoro-4-methylphenyl)-2-[2-methyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide?
The InChIKey is SPUAKHZYEYJGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O2/c1-13-8-9-17(16(22)10-13)24-19(28)12-27-11-18(23-14(27)2)20-25-21(29-26-20)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,24,28).
What are the key properties of N-(2-fluoro-4-methylphenyl)-2-[2-methyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide?
N-(2-fluoro-4-methylphenyl)-2-[2-methyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide has a molecular weight of 391.41 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-methylphenyl)-2-[2-methyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide is sourced from PubChem (CID 53178050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).