[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate

C19H12F4N4O3 — CID 46806056

IUPAC[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate
SMILESO=C(Cn1c(C(F)(F)F)nc2ccccc21)OCc1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C19H12F4N4O3/c20-12-7-5-11(6-8-12)17-25-15(30-26-17)10-29-16(28)9-27-14-4-2-1-3-13(14)24-18(27)19(21,22)23/h1-8H,9-10H2
InChIKeyXRKHBKGIKYEBFA-UHFFFAOYSA-N
MW420.32 g/mol
LogP3.99
Rot. Bonds5

About [3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate

[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate (PubChem CID 46806056) has the molecular formula C19H12F4N4O3 and a molecular weight of 420.32 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate
PubChem CID46806056
Molecular FormulaC19H12F4N4O3
Molecular Weight420.32 g/mol
Exact Mass420.08
IUPAC Name[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate
SMILESO=C(Cn1c(C(F)(F)F)nc2ccccc21)OCc1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C19H12F4N4O3/c20-12-7-5-11(6-8-12)17-25-15(30-26-17)10-29-16(28)9-27-14-4-2-1-3-13(14)24-18(27)19(21,22)23/h1-8H,9-10H2
InChIKeyXRKHBKGIKYEBFA-UHFFFAOYSA-N
XLogP3.99
TPSA83.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.32
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate
CID 46814588
[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(benzotriazol-1-yl)acetate
CID 18272472
1-benzofuran-2-ylmethyl 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate
CID 34155699
(2-phenyl-1,3-thiazol-5-yl)methyl 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate
CID 4877188
[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(3-methyl-2-oxobenzimidazol-1-yl)acetate
CID 41295917
[2-(2,5-difluoroanilino)-2-oxoethyl] 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate
CID 4541562
(3-oxobenzo[f]chromen-1-yl)methyl 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate
CID 3448025
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate
CID 29348413
[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl 2-(2-methylphenyl)acetate
CID 46517032
[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-methylsulfonylbenzoate
CID 18171214
[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoate
CID 34775688
2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzoic acid
CID 30028981

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate?
The IUPAC name of [3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate (CID 46806056) is [3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate.
What is the SMILES notation for [3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate?
The canonical SMILES for [3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate is O=C(Cn1c(C(F)(F)F)nc2ccccc21)OCc1nc(-c2ccc(F)cc2)no1.
What is the InChIKey of [3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate?
The InChIKey is XRKHBKGIKYEBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F4N4O3/c20-12-7-5-11(6-8-12)17-25-15(30-26-17)10-29-16(28)9-27-14-4-2-1-3-13(14)24-18(27)19(21,22)23/h1-8H,9-10H2.
What are the key properties of [3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate?
[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate has a molecular weight of 420.32 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate is sourced from PubChem (CID 46806056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).