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

C16H11F3N2O — CID 154733024

IUPAC5-[4-methyl-3-(trifluoromethyl)phenyl]-3-phenyl-1,2,4-oxadiazole
SMILESCc1ccc(-c2nc(-c3ccccc3)no2)cc1C(F)(F)F
InChIInChI=1S/C16H11F3N2O/c1-10-7-8-12(9-13(10)16(17,18)19)15-20-14(21-22-15)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyMXADGRMDEQPVMZ-UHFFFAOYSA-N
MW304.27 g/mol
LogP4.73
Rot. Bonds2

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

5-[4-methyl-3-(trifluoromethyl)phenyl]-3-phenyl-1,2,4-oxadiazole (PubChem CID 154733024) has the molecular formula C16H11F3N2O and a molecular weight of 304.27 g/mol. Its IUPAC name is 5-[4-methyl-3-(trifluoromethyl)phenyl]-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[4-methyl-3-(trifluoromethyl)phenyl]-3-phenyl-1,2,4-oxadiazole
PubChem CID154733024
Molecular FormulaC16H11F3N2O
Molecular Weight304.27 g/mol
Exact Mass304.08
IUPAC Name5-[4-methyl-3-(trifluoromethyl)phenyl]-3-phenyl-1,2,4-oxadiazole
SMILESCc1ccc(-c2nc(-c3ccccc3)no2)cc1C(F)(F)F
InChIInChI=1S/C16H11F3N2O/c1-10-7-8-12(9-13(10)16(17,18)19)15-20-14(21-22-15)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyMXADGRMDEQPVMZ-UHFFFAOYSA-N
XLogP4.73
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[4-methyl-3-(trifluoromethyl)phenyl]-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-[4-methyl-3-(trifluoromethyl)phenyl]-3-phenyl-1,2,4-oxadiazole (CID 154733024) is 5-[4-methyl-3-(trifluoromethyl)phenyl]-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[4-methyl-3-(trifluoromethyl)phenyl]-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[4-methyl-3-(trifluoromethyl)phenyl]-3-phenyl-1,2,4-oxadiazole is Cc1ccc(-c2nc(-c3ccccc3)no2)cc1C(F)(F)F.
What is the InChIKey of 5-[4-methyl-3-(trifluoromethyl)phenyl]-3-phenyl-1,2,4-oxadiazole?
The InChIKey is MXADGRMDEQPVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O/c1-10-7-8-12(9-13(10)16(17,18)19)15-20-14(21-22-15)11-5-3-2-4-6-11/h2-9H,1H3.
What are the key properties of 5-[4-methyl-3-(trifluoromethyl)phenyl]-3-phenyl-1,2,4-oxadiazole?
5-[4-methyl-3-(trifluoromethyl)phenyl]-3-phenyl-1,2,4-oxadiazole has a molecular weight of 304.27 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-methyl-3-(trifluoromethyl)phenyl]-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 154733024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).