2-phenyl-5-(trifluoromethylsulfanyl)-1,3,4-oxadiazole

C9H5F3N2OS — CID 156769453

IUPAC2-phenyl-5-(trifluoromethylsulfanyl)-1,3,4-oxadiazole
SMILESFC(F)(F)Sc1nnc(-c2ccccc2)o1
InChIInChI=1S/C9H5F3N2OS/c10-9(11,12)16-8-14-13-7(15-8)6-4-2-1-3-5-6/h1-5H
InChIKeyKEOAAXKUVIASBG-UHFFFAOYSA-N
MW246.21 g/mol
LogP3.35
Rot. Bonds2

About 2-phenyl-5-(trifluoromethylsulfanyl)-1,3,4-oxadiazole

2-phenyl-5-(trifluoromethylsulfanyl)-1,3,4-oxadiazole (PubChem CID 156769453) has the molecular formula C9H5F3N2OS and a molecular weight of 246.21 g/mol. Its IUPAC name is 2-phenyl-5-(trifluoromethylsulfanyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-phenyl-5-(trifluoromethylsulfanyl)-1,3,4-oxadiazole
PubChem CID156769453
Molecular FormulaC9H5F3N2OS
Molecular Weight246.21 g/mol
Exact Mass246.01
IUPAC Name2-phenyl-5-(trifluoromethylsulfanyl)-1,3,4-oxadiazole
SMILESFC(F)(F)Sc1nnc(-c2ccccc2)o1
InChIInChI=1S/C9H5F3N2OS/c10-9(11,12)16-8-14-13-7(15-8)6-4-2-1-3-5-6/h1-5H
InChIKeyKEOAAXKUVIASBG-UHFFFAOYSA-N
XLogP3.35
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.21
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butylsulfanyl-5-phenyl-1,3,4-oxadiazole
CID 166005373
bis(2,2-dimethylpropane);2,5-diphenyl-1,3,4-oxadiazole
CID 160836587
2-(benzyldisulfanyl)-5-phenyl-1,3,4-oxadiazole
CID 155545609
2-[bis(4-fluorophenyl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole
CID 52527187
ethane;2-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole
CID 144770943
2-phenyl-5-[[2,4,6-trimethyl-3,5-bis[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]phenyl]methylsulfanyl]-1,3,4-oxadiazole
CID 139079587
2-phenyl-5-[5-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3,4-oxadiazol-2-yl]-1,3,4-oxadiazole
CID 19811954
2-benzylsulfanyl-5-(3-fluorophenyl)-1,3,4-oxadiazole
CID 53495022
2-(1,3-oxazol-2-ylmethylsulfanyl)-5-phenyl-1,3,4-oxadiazole
CID 53495028
2,5-bis[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]-1,3,4-oxadiazole
CID 101440187
2-dodecylsulfanyl-5-phenyl-1,3,4-oxadiazole
CID 54590696
2-(2-methylsulfonylethylsulfanyl)-5-phenyl-1,3,4-oxadiazole
CID 47096897

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-(trifluoromethylsulfanyl)-1,3,4-oxadiazole?
The IUPAC name of 2-phenyl-5-(trifluoromethylsulfanyl)-1,3,4-oxadiazole (CID 156769453) is 2-phenyl-5-(trifluoromethylsulfanyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-phenyl-5-(trifluoromethylsulfanyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-phenyl-5-(trifluoromethylsulfanyl)-1,3,4-oxadiazole is FC(F)(F)Sc1nnc(-c2ccccc2)o1.
What is the InChIKey of 2-phenyl-5-(trifluoromethylsulfanyl)-1,3,4-oxadiazole?
The InChIKey is KEOAAXKUVIASBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3N2OS/c10-9(11,12)16-8-14-13-7(15-8)6-4-2-1-3-5-6/h1-5H.
What are the key properties of 2-phenyl-5-(trifluoromethylsulfanyl)-1,3,4-oxadiazole?
2-phenyl-5-(trifluoromethylsulfanyl)-1,3,4-oxadiazole has a molecular weight of 246.21 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-(trifluoromethylsulfanyl)-1,3,4-oxadiazole is sourced from PubChem (CID 156769453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).