2-benzyl-5-[(1R)-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]sulfanyl-1,3,4-oxadiazole

C20H15F3N4O2S — CID 30256969

IUPAC2-benzyl-5-[(1R)-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]sulfanyl-1,3,4-oxadiazole
SMILESC[C@@H](Sc1nnc(Cc2ccccc2)o1)c1nc(-c2cccc(C(F)(F)F)c2)no1
InChIInChI=1S/C20H15F3N4O2S/c1-12(30-19-26-25-16(28-19)10-13-6-3-2-4-7-13)18-24-17(27-29-18)14-8-5-9-15(11-14)20(21,22)23/h2-9,11-12H,10H2,1H3/t12-/m1/s1
InChIKeyZOTXPCJKCSFKKH-GFCCVEGCSA-N
MW432.43 g/mol
LogP5.58
Rot. Bonds6

About 2-benzyl-5-[(1R)-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]sulfanyl-1,3,4-oxadiazole

2-benzyl-5-[(1R)-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]sulfanyl-1,3,4-oxadiazole (PubChem CID 30256969) has the molecular formula C20H15F3N4O2S and a molecular weight of 432.43 g/mol. Its IUPAC name is 2-benzyl-5-[(1R)-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]sulfanyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-benzyl-5-[(1R)-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]sulfanyl-1,3,4-oxadiazole
PubChem CID30256969
Molecular FormulaC20H15F3N4O2S
Molecular Weight432.43 g/mol
Exact Mass432.09
IUPAC Name2-benzyl-5-[(1R)-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]sulfanyl-1,3,4-oxadiazole
SMILESC[C@@H](Sc1nnc(Cc2ccccc2)o1)c1nc(-c2cccc(C(F)(F)F)c2)no1
InChIInChI=1S/C20H15F3N4O2S/c1-12(30-19-26-25-16(28-19)10-13-6-3-2-4-7-13)18-24-17(27-29-18)14-8-5-9-15(11-14)20(21,22)23/h2-9,11-12H,10H2,1H3/t12-/m1/s1
InChIKeyZOTXPCJKCSFKKH-GFCCVEGCSA-N
XLogP5.58
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.43
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-benzyl-5-[(1R)-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]sulfanyl-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(1R)-1-(1-methyltetrazol-5-yl)sulfanylethyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 41014241
(1S)-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethanol
CID 66264287
N-(2-methylpropyl)-5-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 134035826
5-[1-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 55984797
N-methyl-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63347563
5-[1-[[5-(2-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 134035806
N-methyl-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 63347519
5-[1-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 17418061
5-[(1S)-1-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 41044884
[(1R)-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl] pyrrolidine-1-carbodithioate
CID 41014423
5-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 46508366
3-ethyl-5-[1-[4-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 60512779

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-[(1R)-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]sulfanyl-1,3,4-oxadiazole?
The IUPAC name of 2-benzyl-5-[(1R)-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]sulfanyl-1,3,4-oxadiazole (CID 30256969) is 2-benzyl-5-[(1R)-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]sulfanyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-benzyl-5-[(1R)-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]sulfanyl-1,3,4-oxadiazole?
The canonical SMILES for 2-benzyl-5-[(1R)-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]sulfanyl-1,3,4-oxadiazole is C[C@@H](Sc1nnc(Cc2ccccc2)o1)c1nc(-c2cccc(C(F)(F)F)c2)no1.
What is the InChIKey of 2-benzyl-5-[(1R)-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]sulfanyl-1,3,4-oxadiazole?
The InChIKey is ZOTXPCJKCSFKKH-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H15F3N4O2S/c1-12(30-19-26-25-16(28-19)10-13-6-3-2-4-7-13)18-24-17(27-29-18)14-8-5-9-15(11-14)20(21,22)23/h2-9,11-12H,10H2,1H3/t12-/m1/s1.
What are the key properties of 2-benzyl-5-[(1R)-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]sulfanyl-1,3,4-oxadiazole?
2-benzyl-5-[(1R)-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]sulfanyl-1,3,4-oxadiazole has a molecular weight of 432.43 g/mol, XLogP of 5.58, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-[(1R)-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]sulfanyl-1,3,4-oxadiazole is sourced from PubChem (CID 30256969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).