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

C15H9F3N2O — CID 19324593

IUPAC3-phenyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1cccc(-c2nc(-c3ccccc3)no2)c1
InChIInChI=1S/C15H9F3N2O/c16-15(17,18)12-8-4-7-11(9-12)14-19-13(20-21-14)10-5-2-1-3-6-10/h1-9H
InChIKeyPGVKWMHKPCLHIG-UHFFFAOYSA-N
MW290.24 g/mol
LogP4.42
Rot. Bonds2

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

3-phenyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (PubChem CID 19324593) has the molecular formula C15H9F3N2O and a molecular weight of 290.24 g/mol. Its IUPAC name is 3-phenyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-phenyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
PubChem CID19324593
Molecular FormulaC15H9F3N2O
Molecular Weight290.24 g/mol
Exact Mass290.07
IUPAC Name3-phenyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1cccc(-c2nc(-c3ccccc3)no2)c1
InChIInChI=1S/C15H9F3N2O/c16-15(17,18)12-8-4-7-11(9-12)14-19-13(20-21-14)10-5-2-1-3-6-10/h1-9H
InChIKeyPGVKWMHKPCLHIG-UHFFFAOYSA-N
XLogP4.42
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[3,5-bis(trifluoromethyl)phenyl]-3-phenyl-1,2,4-oxadiazole
CID 25110321
5-(3-bromophenyl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 5191480
3-phenyl-5-[3-phenyl-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 25110336
3-methyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 12569663
5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 4077460
2-[5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]acetic acid
CID 3492218
3-(6-ethylsulfanyl-3-pyridinyl)-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 2740804
5-[3-methyl-5-(trifluoromethyl)-1,2-oxazol-4-yl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 2740227
5-(6-pyrimidin-5-yl-3-pyridinyl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 56888384
5-(5-thiophen-2-yl-1,2-oxazol-3-yl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 3590717
3-benzyl-7-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-1H-quinazoline-2,4-dione
CID 53061229
(1S)-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethanol
CID 66264287

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 3-phenyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (CID 19324593) is 3-phenyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-phenyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-phenyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is FC(F)(F)c1cccc(-c2nc(-c3ccccc3)no2)c1.
What is the InChIKey of 3-phenyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The InChIKey is PGVKWMHKPCLHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N2O/c16-15(17,18)12-8-4-7-11(9-12)14-19-13(20-21-14)10-5-2-1-3-6-10/h1-9H.
What are the key properties of 3-phenyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
3-phenyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole has a molecular weight of 290.24 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 19324593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).