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

C19H13BrFN5O2 — CID 53178155

IUPACN-(3-bromophenyl)-2-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]acetamide
SMILESO=C(Cn1cnc(-c2noc(-c3cccc(F)c3)n2)c1)Nc1cccc(Br)c1
InChIInChI=1S/C19H13BrFN5O2/c20-13-4-2-6-15(8-13)23-17(27)10-26-9-16(22-11-26)18-24-19(28-25-18)12-3-1-5-14(21)7-12/h1-9,11H,10H2,(H,23,27)
InChIKeyLZTMCTUJDZOMIP-UHFFFAOYSA-N
MW442.25 g/mol
LogP4.14
Rot. Bonds5

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

N-(3-bromophenyl)-2-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]acetamide (PubChem CID 53178155) has the molecular formula C19H13BrFN5O2 and a molecular weight of 442.25 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]acetamide
PubChem CID53178155
Molecular FormulaC19H13BrFN5O2
Molecular Weight442.25 g/mol
Exact Mass441.02
IUPAC NameN-(3-bromophenyl)-2-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]acetamide
SMILESO=C(Cn1cnc(-c2noc(-c3cccc(F)c3)n2)c1)Nc1cccc(Br)c1
InChIInChI=1S/C19H13BrFN5O2/c20-13-4-2-6-15(8-13)23-17(27)10-26-9-16(22-11-26)18-24-19(28-25-18)12-3-1-5-14(21)7-12/h1-9,11H,10H2,(H,23,27)
InChIKeyLZTMCTUJDZOMIP-UHFFFAOYSA-N
XLogP4.14
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.25
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-bromophenyl)-2-[4-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]acetamide
CID 53178172
N-(3,4-difluorophenyl)-2-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
CID 53177910
N-(3-methylphenyl)-2-[4-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
CID 53177955
1-(4-fluorophenyl)-3-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]propan-2-one
CID 169284627
2-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 53178147
N-(3-methoxyphenyl)-2-[4-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
CID 53177946
N-(3-fluorophenyl)-2-[2-methyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
CID 53178042
N-(2-fluorophenyl)-2-[4-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
CID 53177956
2-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]-N-(2-methylphenyl)acetamide
CID 53178126
N-(3-bromophenyl)-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100754735
N-[(4-fluorophenyl)methyl]-2-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
CID 53177904
N-(3-fluorophenyl)-2-[2-methyl-4-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
CID 53178108

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]acetamide?
The IUPAC name of N-(3-bromophenyl)-2-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]acetamide (CID 53178155) is N-(3-bromophenyl)-2-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]acetamide is O=C(Cn1cnc(-c2noc(-c3cccc(F)c3)n2)c1)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-2-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]acetamide?
The InChIKey is LZTMCTUJDZOMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrFN5O2/c20-13-4-2-6-15(8-13)23-17(27)10-26-9-16(22-11-26)18-24-19(28-25-18)12-3-1-5-14(21)7-12/h1-9,11H,10H2,(H,23,27).
What are the key properties of N-(3-bromophenyl)-2-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]acetamide?
N-(3-bromophenyl)-2-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]acetamide has a molecular weight of 442.25 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]acetamide is sourced from PubChem (CID 53178155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).