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

C20H16FN5O2 — CID 53178126

IUPAC2-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)Cn1cnc(-c2noc(-c3ccc(F)cc3)n2)c1
InChIInChI=1S/C20H16FN5O2/c1-13-4-2-3-5-16(13)23-18(27)11-26-10-17(22-12-26)19-24-20(28-25-19)14-6-8-15(21)9-7-14/h2-10,12H,11H2,1H3,(H,23,27)
InChIKeyUNUSOIFACCKQQE-UHFFFAOYSA-N
MW377.38 g/mol
LogP3.69
Rot. Bonds5

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

2-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]-N-(2-methylphenyl)acetamide (PubChem CID 53178126) has the molecular formula C20H16FN5O2 and a molecular weight of 377.38 g/mol. Its IUPAC name is 2-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]-N-(2-methylphenyl)acetamide
PubChem CID53178126
Molecular FormulaC20H16FN5O2
Molecular Weight377.38 g/mol
Exact Mass377.13
IUPAC Name2-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)Cn1cnc(-c2noc(-c3ccc(F)cc3)n2)c1
InChIInChI=1S/C20H16FN5O2/c1-13-4-2-3-5-16(13)23-18(27)11-26-10-17(22-12-26)19-24-20(28-25-19)14-6-8-15(21)9-7-14/h2-10,12H,11H2,1H3,(H,23,27)
InChIKeyUNUSOIFACCKQQE-UHFFFAOYSA-N
XLogP3.69
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-fluorophenyl)-2-[4-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
CID 53177956
N-[(4-fluorophenyl)methyl]-2-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
CID 53177904
N-(2,3-dimethylphenyl)-2-[4-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
CID 53177935
N-(3,4-difluorophenyl)-2-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
CID 53177910
N-[(4-chlorophenyl)methyl]-2-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]acetamide
CID 53178141
N-(2-fluorophenyl)-2-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
CID 53178002
N-(3-methylphenyl)-2-[4-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
CID 53177955
N-(3-bromophenyl)-2-[4-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]acetamide
CID 53178172
2-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 53178147
N-(3-bromophenyl)-2-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]acetamide
CID 53178155
N-(2-ethylphenyl)-2-[4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
CID 53177977
N-(3-methoxyphenyl)-2-[4-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
CID 53177946

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]-N-(2-methylphenyl)acetamide (CID 53178126) is 2-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)Cn1cnc(-c2noc(-c3ccc(F)cc3)n2)c1.
What is the InChIKey of 2-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]-N-(2-methylphenyl)acetamide?
The InChIKey is UNUSOIFACCKQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O2/c1-13-4-2-3-5-16(13)23-18(27)11-26-10-17(22-12-26)19-24-20(28-25-19)14-6-8-15(21)9-7-14/h2-10,12H,11H2,1H3,(H,23,27).
What are the key properties of 2-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]-N-(2-methylphenyl)acetamide?
2-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]-N-(2-methylphenyl)acetamide has a molecular weight of 377.38 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 53178126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).