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

C20H15ClFN5O2 — CID 53178141

IUPACN-[(4-chlorophenyl)methyl]-2-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]acetamide
SMILESO=C(Cn1cnc(-c2noc(-c3ccc(F)cc3)n2)c1)NCc1ccc(Cl)cc1
InChIInChI=1S/C20H15ClFN5O2/c21-15-5-1-13(2-6-15)9-23-18(28)11-27-10-17(24-12-27)19-25-20(29-26-19)14-3-7-16(22)8-4-14/h1-8,10,12H,9,11H2,(H,23,28)
InChIKeyFXMHJCHAFOBJOX-UHFFFAOYSA-N
MW411.82 g/mol
LogP3.71
Rot. Bonds6

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

N-[(4-chlorophenyl)methyl]-2-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]acetamide (PubChem CID 53178141) has the molecular formula C20H15ClFN5O2 and a molecular weight of 411.82 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]acetamide
PubChem CID53178141
Molecular FormulaC20H15ClFN5O2
Molecular Weight411.82 g/mol
Exact Mass411.09
IUPAC NameN-[(4-chlorophenyl)methyl]-2-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]acetamide
SMILESO=C(Cn1cnc(-c2noc(-c3ccc(F)cc3)n2)c1)NCc1ccc(Cl)cc1
InChIInChI=1S/C20H15ClFN5O2/c21-15-5-1-13(2-6-15)9-23-18(28)11-27-10-17(24-12-27)19-25-20(29-26-19)14-3-7-16(22)8-4-14/h1-8,10,12H,9,11H2,(H,23,28)
InChIKeyFXMHJCHAFOBJOX-UHFFFAOYSA-N
XLogP3.71
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.82
LogP ≤ 53.71
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
2-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 53178147
N-[(2-fluorophenyl)methyl]-2-[4-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
CID 53177970
2-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]-N-(2-methylphenyl)acetamide
CID 53178126
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
N-(3,4-difluorophenyl)-2-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
CID 53177910
1-(4-fluorophenyl)-3-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]propan-2-one
CID 169284627
N-(2-fluorophenyl)-2-[4-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
CID 53177956
N-[(4-chlorophenyl)methyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 7465914
N-[(4-chlorophenyl)methyl]-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 25238051
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenyl)acetamide
CID 83289940

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]acetamide (CID 53178141) is N-[(4-chlorophenyl)methyl]-2-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]acetamide is O=C(Cn1cnc(-c2noc(-c3ccc(F)cc3)n2)c1)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]acetamide?
The InChIKey is FXMHJCHAFOBJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFN5O2/c21-15-5-1-13(2-6-15)9-23-18(28)11-27-10-17(24-12-27)19-25-20(29-26-19)14-3-7-16(22)8-4-14/h1-8,10,12H,9,11H2,(H,23,28).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]acetamide?
N-[(4-chlorophenyl)methyl]-2-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]acetamide has a molecular weight of 411.82 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]acetamide is sourced from PubChem (CID 53178141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).