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

C21H20N6O2 — CID 53178066

IUPACN-[(4-methylphenyl)methyl]-2-[2-methyl-4-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
SMILESCc1ccc(CNC(=O)Cn2cc(-c3noc(-c4cccnc4)n3)nc2C)cc1
InChIInChI=1S/C21H20N6O2/c1-14-5-7-16(8-6-14)10-23-19(28)13-27-12-18(24-15(27)2)20-25-21(29-26-20)17-4-3-9-22-11-17/h3-9,11-12H,10,13H2,1-2H3,(H,23,28)
InChIKeyBYEGVYSEOFVNNR-UHFFFAOYSA-N
MW388.43 g/mol
LogP2.93
Rot. Bonds6

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

N-[(4-methylphenyl)methyl]-2-[2-methyl-4-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide (PubChem CID 53178066) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-2-[2-methyl-4-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-2-[2-methyl-4-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
PubChem CID53178066
Molecular FormulaC21H20N6O2
Molecular Weight388.43 g/mol
Exact Mass388.16
IUPAC NameN-[(4-methylphenyl)methyl]-2-[2-methyl-4-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
SMILESCc1ccc(CNC(=O)Cn2cc(-c3noc(-c4cccnc4)n3)nc2C)cc1
InChIInChI=1S/C21H20N6O2/c1-14-5-7-16(8-6-14)10-23-19(28)13-27-12-18(24-15(27)2)20-25-21(29-26-20)17-4-3-9-22-11-17/h3-9,11-12H,10,13H2,1-2H3,(H,23,28)
InChIKeyBYEGVYSEOFVNNR-UHFFFAOYSA-N
XLogP2.93
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-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)methyl]-2-[2-methyl-4-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide (CID 53178066) is N-[(4-methylphenyl)methyl]-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)methyl]-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)methyl]-2-[2-methyl-4-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide is Cc1ccc(CNC(=O)Cn2cc(-c3noc(-c4cccnc4)n3)nc2C)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-2-[2-methyl-4-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide?
The InChIKey is BYEGVYSEOFVNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2/c1-14-5-7-16(8-6-14)10-23-19(28)13-27-12-18(24-15(27)2)20-25-21(29-26-20)17-4-3-9-22-11-17/h3-9,11-12H,10,13H2,1-2H3,(H,23,28).
What are the key properties of N-[(4-methylphenyl)methyl]-2-[2-methyl-4-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide?
N-[(4-methylphenyl)methyl]-2-[2-methyl-4-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide has a molecular weight of 388.43 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-2-[2-methyl-4-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide is sourced from PubChem (CID 53178066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).