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

C21H18FN5O2 — CID 53178147

IUPAC2-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)Cn2cnc(-c3noc(-c4cccc(F)c4)n3)c2)cc1
InChIInChI=1S/C21H18FN5O2/c1-14-5-7-15(8-6-14)10-23-19(28)12-27-11-18(24-13-27)20-25-21(29-26-20)16-3-2-4-17(22)9-16/h2-9,11,13H,10,12H2,1H3,(H,23,28)
InChIKeyLNUGOWACDGZRRI-UHFFFAOYSA-N
MW391.41 g/mol
LogP3.36
Rot. Bonds6

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

2-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 53178147) has the molecular formula C21H18FN5O2 and a molecular weight of 391.41 g/mol. Its IUPAC name is 2-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide
PubChem CID53178147
Molecular FormulaC21H18FN5O2
Molecular Weight391.41 g/mol
Exact Mass391.14
IUPAC Name2-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)Cn2cnc(-c3noc(-c4cccc(F)c4)n3)c2)cc1
InChIInChI=1S/C21H18FN5O2/c1-14-5-7-15(8-6-14)10-23-19(28)12-27-11-18(24-13-27)20-25-21(29-26-20)16-3-2-4-17(22)9-16/h2-9,11,13H,10,12H2,1H3,(H,23,28)
InChIKeyLNUGOWACDGZRRI-UHFFFAOYSA-N
XLogP3.36
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.41
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
CID 53177904
N-[(4-chlorophenyl)methyl]-2-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]acetamide
CID 53178141
N-[(4-methylphenyl)methyl]-2-[4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
CID 53177978
N-[(4-methylphenyl)methyl]-2-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
CID 53177999
1-(4-fluorophenyl)-3-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]propan-2-one
CID 169284627
N-(3-bromophenyl)-2-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]acetamide
CID 53178155
2-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]-N-(2-methylphenyl)acetamide
CID 53178126
N-[(2-fluorophenyl)methyl]-2-[4-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
CID 53177970
N-benzyl-2-[3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 50755668
N-(3-methylphenyl)-2-[4-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
CID 53177955
N-(3,4-difluorophenyl)-2-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
CID 53177910
N-[4-[[4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]-4-methylbenzenesulfonamide
CID 46295685

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide (CID 53178147) is 2-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)Cn2cnc(-c3noc(-c4cccc(F)c4)n3)c2)cc1.
What is the InChIKey of 2-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is LNUGOWACDGZRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O2/c1-14-5-7-15(8-6-14)10-23-19(28)12-27-11-18(24-13-27)20-25-21(29-26-20)16-3-2-4-17(22)9-16/h2-9,11,13H,10,12H2,1H3,(H,23,28).
What are the key properties of 2-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide?
2-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 391.41 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 53178147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).