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

C20H18N6O2 — CID 53178061

IUPACN-(4-methylphenyl)-2-[2-methyl-4-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
SMILESCc1ccc(NC(=O)Cn2cc(-c3noc(-c4cccnc4)n3)nc2C)cc1
InChIInChI=1S/C20H18N6O2/c1-13-5-7-16(8-6-13)23-18(27)12-26-11-17(22-14(26)2)19-24-20(28-25-19)15-4-3-9-21-10-15/h3-11H,12H2,1-2H3,(H,23,27)
InChIKeyGVBQYRSPQDFQOR-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.25
Rot. Bonds5

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

N-(4-methylphenyl)-2-[2-methyl-4-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide (PubChem CID 53178061) has the molecular formula C20H18N6O2 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-[2-methyl-4-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-[2-methyl-4-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
PubChem CID53178061
Molecular FormulaC20H18N6O2
Molecular Weight374.40 g/mol
Exact Mass374.15
IUPAC NameN-(4-methylphenyl)-2-[2-methyl-4-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
SMILESCc1ccc(NC(=O)Cn2cc(-c3noc(-c4cccnc4)n3)nc2C)cc1
InChIInChI=1S/C20H18N6O2/c1-13-5-7-16(8-6-13)23-18(27)12-26-11-17(22-14(26)2)19-24-20(28-25-19)15-4-3-9-21-10-15/h3-11H,12H2,1-2H3,(H,23,27)
InChIKeyGVBQYRSPQDFQOR-UHFFFAOYSA-N
XLogP3.25
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,5-dimethylphenyl)-2-[2-methyl-4-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
CID 53178074
2-[2-methyl-4-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]-N-(1-phenylethyl)acetamide
CID 53178084
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-pyridin-4-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
CID 53178108
N-(2,4-dimethylphenyl)-2-[2-methyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
CID 53178029
N-(3-chlorophenyl)-2-[2-methyl-4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]acetamide
CID 53178229
N-(3-fluorophenyl)-2-[2-methyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
CID 53178042
N-(2-fluoro-4-methylphenyl)-2-[2-methyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
CID 53178050
N-(2,5-difluorophenyl)-2-[2-methyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
CID 53331457
N-(2,3-dimethylphenyl)-2-[4-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
CID 53177935
N-(4-methylphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4899903
3-(4-methylphenyl)-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole
CID 75527948

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-[2-methyl-4-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide?
The IUPAC name of N-(4-methylphenyl)-2-[2-methyl-4-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide (CID 53178061) is N-(4-methylphenyl)-2-[2-methyl-4-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide.
What is the SMILES notation for N-(4-methylphenyl)-2-[2-methyl-4-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide?
The canonical SMILES for N-(4-methylphenyl)-2-[2-methyl-4-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide is Cc1ccc(NC(=O)Cn2cc(-c3noc(-c4cccnc4)n3)nc2C)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-[2-methyl-4-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide?
The InChIKey is GVBQYRSPQDFQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O2/c1-13-5-7-16(8-6-13)23-18(27)12-26-11-17(22-14(26)2)19-24-20(28-25-19)15-4-3-9-21-10-15/h3-11H,12H2,1-2H3,(H,23,27).
What are the key properties of N-(4-methylphenyl)-2-[2-methyl-4-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide?
N-(4-methylphenyl)-2-[2-methyl-4-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide has a molecular weight of 374.40 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-[2-methyl-4-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide is sourced from PubChem (CID 53178061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).