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

C15H9F3N2O — CID 875076

IUPAC5-phenyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1ccc(-c2noc(-c3ccccc3)n2)cc1
InChIInChI=1S/C15H9F3N2O/c16-15(17,18)12-8-6-10(7-9-12)13-19-14(21-20-13)11-4-2-1-3-5-11/h1-9H
InChIKeyCRPBISCDPOFJKB-UHFFFAOYSA-N
MW290.24 g/mol
LogP4.42
Rot. Bonds2

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

5-phenyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (PubChem CID 875076) has the molecular formula C15H9F3N2O and a molecular weight of 290.24 g/mol. Its IUPAC name is 5-phenyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-phenyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
PubChem CID875076
Molecular FormulaC15H9F3N2O
Molecular Weight290.24 g/mol
Exact Mass290.07
IUPAC Name5-phenyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1ccc(-c2noc(-c3ccccc3)n2)cc1
InChIInChI=1S/C15H9F3N2O/c16-15(17,18)12-8-6-10(7-9-12)13-19-14(21-20-13)11-4-2-1-3-5-11/h1-9H
InChIKeyCRPBISCDPOFJKB-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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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-phenyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (CID 875076) is 5-phenyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-phenyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-phenyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is FC(F)(F)c1ccc(-c2noc(-c3ccccc3)n2)cc1.
What is the InChIKey of 5-phenyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The InChIKey is CRPBISCDPOFJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N2O/c16-15(17,18)12-8-6-10(7-9-12)13-19-14(21-20-13)11-4-2-1-3-5-11/h1-9H.
What are the key properties of 5-phenyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
5-phenyl-3-[4-(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 5-phenyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 875076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).