1-(4-fluorophenyl)-3-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]propan-2-one

C20H14F2N4O2 — CID 169284627

IUPAC1-(4-fluorophenyl)-3-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]propan-2-one
SMILESO=C(Cc1ccc(F)cc1)Cn1cnc(-c2noc(-c3cccc(F)c3)n2)c1
InChIInChI=1S/C20H14F2N4O2/c21-15-6-4-13(5-7-15)8-17(27)10-26-11-18(23-12-26)19-24-20(28-25-19)14-2-1-3-16(22)9-14/h1-7,9,11-12H,8,10H2
InChIKeyXMEVIQIFAWQQFL-UHFFFAOYSA-N
MW380.35 g/mol
LogP3.69
Rot. Bonds6

About 1-(4-fluorophenyl)-3-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]propan-2-one

1-(4-fluorophenyl)-3-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]propan-2-one (PubChem CID 169284627) has the molecular formula C20H14F2N4O2 and a molecular weight of 380.35 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]propan-2-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]propan-2-one
PubChem CID169284627
Molecular FormulaC20H14F2N4O2
Molecular Weight380.35 g/mol
Exact Mass380.11
IUPAC Name1-(4-fluorophenyl)-3-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]propan-2-one
SMILESO=C(Cc1ccc(F)cc1)Cn1cnc(-c2noc(-c3cccc(F)c3)n2)c1
InChIInChI=1S/C20H14F2N4O2/c21-15-6-4-13(5-7-15)8-17(27)10-26-11-18(23-12-26)19-24-20(28-25-19)14-2-1-3-16(22)9-14/h1-7,9,11-12H,8,10H2
InChIKeyXMEVIQIFAWQQFL-UHFFFAOYSA-N
XLogP3.69
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.35
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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-[(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
2-(4-fluorophenyl)-N-[3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 39854255
2-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]-N-(2-methylphenyl)acetamide
CID 53178126
4-[[4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]aniline
CID 46507006
N-[4-[[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]-2-phenylacetamide
CID 46295561
N-(3,4-difluorophenyl)-2-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
CID 53177910
1-[4-[[4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]-3-(3-methylsulfanylphenyl)urea
CID 53058566
1-(3-chloro-4-fluorophenyl)-3-[4-[[4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]urea
CID 53058501
N-[(2-fluorophenyl)methyl]-2-[4-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
CID 53177970

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]propan-2-one?
The IUPAC name of 1-(4-fluorophenyl)-3-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]propan-2-one (CID 169284627) is 1-(4-fluorophenyl)-3-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]propan-2-one.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]propan-2-one?
The canonical SMILES for 1-(4-fluorophenyl)-3-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]propan-2-one is O=C(Cc1ccc(F)cc1)Cn1cnc(-c2noc(-c3cccc(F)c3)n2)c1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]propan-2-one?
The InChIKey is XMEVIQIFAWQQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N4O2/c21-15-6-4-13(5-7-15)8-17(27)10-26-11-18(23-12-26)19-24-20(28-25-19)14-2-1-3-16(22)9-14/h1-7,9,11-12H,8,10H2.
What are the key properties of 1-(4-fluorophenyl)-3-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]propan-2-one?
1-(4-fluorophenyl)-3-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]propan-2-one has a molecular weight of 380.35 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]propan-2-one is sourced from PubChem (CID 169284627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).