2-phenylselanyl-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole

C15H9F3N2OSe — CID 141487087

IUPAC2-phenylselanyl-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
SMILESFC(F)(F)c1ccc(-c2nnc([Se]c3ccccc3)o2)cc1
InChIInChI=1S/C15H9F3N2OSe/c16-15(17,18)11-8-6-10(7-9-11)13-19-20-14(21-13)22-12-4-2-1-3-5-12/h1-9H
InChIKeyIGHWBDHCQNTODF-UHFFFAOYSA-N
MW369.20 g/mol
LogP2.41
Rot. Bonds3

About 2-phenylselanyl-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole

2-phenylselanyl-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole (PubChem CID 141487087) has the molecular formula C15H9F3N2OSe and a molecular weight of 369.20 g/mol. Its IUPAC name is 2-phenylselanyl-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-phenylselanyl-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
PubChem CID141487087
Molecular FormulaC15H9F3N2OSe
Molecular Weight369.20 g/mol
Exact Mass369.98
IUPAC Name2-phenylselanyl-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
SMILESFC(F)(F)c1ccc(-c2nnc([Se]c3ccccc3)o2)cc1
InChIInChI=1S/C15H9F3N2OSe/c16-15(17,18)11-8-6-10(7-9-11)13-19-20-14(21-13)22-12-4-2-1-3-5-12/h1-9H
InChIKeyIGHWBDHCQNTODF-UHFFFAOYSA-N
XLogP2.41
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.20
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 850834
2-(2-phenylethynyl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 45142353
2-(4-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 850624
N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-(trifluoromethyl)aniline
CID 78795471
5-phenyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole
CID 102265146
2-(2,2-dimethylpropyl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 91525485
3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzaldehyde
CID 21105734
N-(2-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 118611400
2-phenyl-5-(trifluoromethylsulfanyl)-1,3,4-oxadiazole
CID 156769453
ethane;2-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole
CID 144770943
2-(4-methylthiadiazol-5-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 2814093
2-(1-bromopropyl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 62854380

Frequently Asked Questions

What is the IUPAC name of 2-phenylselanyl-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-phenylselanyl-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole (CID 141487087) is 2-phenylselanyl-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-phenylselanyl-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-phenylselanyl-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole is FC(F)(F)c1ccc(-c2nnc([Se]c3ccccc3)o2)cc1.
What is the InChIKey of 2-phenylselanyl-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole?
The InChIKey is IGHWBDHCQNTODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N2OSe/c16-15(17,18)11-8-6-10(7-9-11)13-19-20-14(21-13)22-12-4-2-1-3-5-12/h1-9H.
What are the key properties of 2-phenylselanyl-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole?
2-phenylselanyl-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole has a molecular weight of 369.20 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylselanyl-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 141487087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).