3-(5-chloro-3-pyridinyl)-5-[4-(2-fluorophenyl)-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

C20H10ClF4N3O — CID 151927470

IUPAC3-(5-chloro-3-pyridinyl)-5-[4-(2-fluorophenyl)-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESFc1ccccc1-c1ccc(-c2nc(-c3cncc(Cl)c3)no2)cc1C(F)(F)F
InChIInChI=1S/C20H10ClF4N3O/c21-13-7-12(9-26-10-13)18-27-19(29-28-18)11-5-6-14(16(8-11)20(23,24)25)15-3-1-2-4-17(15)22/h1-10H
InChIKeySYBNJWBXPIEVSG-UHFFFAOYSA-N
MW419.77 g/mol
LogP6.28
Rot. Bonds3

About 3-(5-chloro-3-pyridinyl)-5-[4-(2-fluorophenyl)-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

3-(5-chloro-3-pyridinyl)-5-[4-(2-fluorophenyl)-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (PubChem CID 151927470) has the molecular formula C20H10ClF4N3O and a molecular weight of 419.77 g/mol. Its IUPAC name is 3-(5-chloro-3-pyridinyl)-5-[4-(2-fluorophenyl)-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(5-chloro-3-pyridinyl)-5-[4-(2-fluorophenyl)-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
PubChem CID151927470
Molecular FormulaC20H10ClF4N3O
Molecular Weight419.77 g/mol
Exact Mass419.04
IUPAC Name3-(5-chloro-3-pyridinyl)-5-[4-(2-fluorophenyl)-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESFc1ccccc1-c1ccc(-c2nc(-c3cncc(Cl)c3)no2)cc1C(F)(F)F
InChIInChI=1S/C20H10ClF4N3O/c21-13-7-12(9-26-10-13)18-27-19(29-28-18)11-5-6-14(16(8-11)20(23,24)25)15-3-1-2-4-17(15)22/h1-10H
InChIKeySYBNJWBXPIEVSG-UHFFFAOYSA-N
XLogP6.28
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.77
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-methyl-3-pyridinyl)-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 25110232
methyl 1-[[4-[5-[4-(2-fluorophenyl)-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrazole-3-carboxylate
CID 59201839
3-(2-methoxyphenyl)-5-[4-(2-methylphenyl)-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 25256391
[2-methyl-4-[5-[4-(2-methylphenyl)-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanol
CID 66678083
N,N-dimethyl-1-[4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine
CID 25110275
5-(3-chlorophenyl)-3-(4-chlorophenyl)-1,2,4-oxadiazole
CID 17370674
2-[[2-fluoro-4-[5-[4-(2-methylphenyl)-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]-2-methylpropanoic acid
CID 56601174
3-[3-chloro-5-[5-[4-(2-fluorophenyl)-3-(methoxymethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]propan-1-ol
CID 58554158
4-(2-fluorophenyl)-3-(trifluoromethyl)benzoyl chloride
CID 46313258
5-(4-chlorophenyl)-3-[4-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]phenyl]-1,2,4-oxadiazole
CID 2746072
1-[4-[5-[3-methyl-4-[2-(trifluoromethyl)phenyl]phenyl]-1,2,4-oxadiazol-3-yl]phenyl]ethanamine
CID 66652647
2-[[2-fluoro-4-[5-[4-(2-methylphenyl)-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]-2-methylbutanoic acid
CID 123463426

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-3-pyridinyl)-5-[4-(2-fluorophenyl)-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(5-chloro-3-pyridinyl)-5-[4-(2-fluorophenyl)-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (CID 151927470) is 3-(5-chloro-3-pyridinyl)-5-[4-(2-fluorophenyl)-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(5-chloro-3-pyridinyl)-5-[4-(2-fluorophenyl)-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(5-chloro-3-pyridinyl)-5-[4-(2-fluorophenyl)-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is Fc1ccccc1-c1ccc(-c2nc(-c3cncc(Cl)c3)no2)cc1C(F)(F)F.
What is the InChIKey of 3-(5-chloro-3-pyridinyl)-5-[4-(2-fluorophenyl)-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The InChIKey is SYBNJWBXPIEVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10ClF4N3O/c21-13-7-12(9-26-10-13)18-27-19(29-28-18)11-5-6-14(16(8-11)20(23,24)25)15-3-1-2-4-17(15)22/h1-10H.
What are the key properties of 3-(5-chloro-3-pyridinyl)-5-[4-(2-fluorophenyl)-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
3-(5-chloro-3-pyridinyl)-5-[4-(2-fluorophenyl)-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole has a molecular weight of 419.77 g/mol, XLogP of 6.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-3-pyridinyl)-5-[4-(2-fluorophenyl)-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 151927470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).