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

C17H12F6N2O — CID 143910158

IUPAC5-[3,5-bis(trifluoromethyl)phenyl]-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole
SMILESCc1ccccc1C1=NC(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)ON1
InChIInChI=1S/C17H12F6N2O/c1-9-4-2-3-5-13(9)14-24-15(26-25-14)10-6-11(16(18,19)20)8-12(7-10)17(21,22)23/h2-8,15H,1H3,(H,24,25)
InChIKeyPLKDEOAJJYHOJB-UHFFFAOYSA-N
MW374.28 g/mol
LogP5.01
Rot. Bonds2

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

5-[3,5-bis(trifluoromethyl)phenyl]-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole (PubChem CID 143910158) has the molecular formula C17H12F6N2O and a molecular weight of 374.28 g/mol. Its IUPAC name is 5-[3,5-bis(trifluoromethyl)phenyl]-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[3,5-bis(trifluoromethyl)phenyl]-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole
PubChem CID143910158
Molecular FormulaC17H12F6N2O
Molecular Weight374.28 g/mol
Exact Mass374.09
IUPAC Name5-[3,5-bis(trifluoromethyl)phenyl]-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole
SMILESCc1ccccc1C1=NC(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)ON1
InChIInChI=1S/C17H12F6N2O/c1-9-4-2-3-5-13(9)14-24-15(26-25-14)10-6-11(16(18,19)20)8-12(7-10)17(21,22)23/h2-8,15H,1H3,(H,24,25)
InChIKeyPLKDEOAJJYHOJB-UHFFFAOYSA-N
XLogP5.01
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.28
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[3,5-bis(trifluoromethyl)phenyl]-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole?
The IUPAC name of 5-[3,5-bis(trifluoromethyl)phenyl]-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole (CID 143910158) is 5-[3,5-bis(trifluoromethyl)phenyl]-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole.
What is the SMILES notation for 5-[3,5-bis(trifluoromethyl)phenyl]-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole?
The canonical SMILES for 5-[3,5-bis(trifluoromethyl)phenyl]-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole is Cc1ccccc1C1=NC(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)ON1.
What is the InChIKey of 5-[3,5-bis(trifluoromethyl)phenyl]-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole?
The InChIKey is PLKDEOAJJYHOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F6N2O/c1-9-4-2-3-5-13(9)14-24-15(26-25-14)10-6-11(16(18,19)20)8-12(7-10)17(21,22)23/h2-8,15H,1H3,(H,24,25).
What are the key properties of 5-[3,5-bis(trifluoromethyl)phenyl]-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole?
5-[3,5-bis(trifluoromethyl)phenyl]-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole has a molecular weight of 374.28 g/mol, XLogP of 5.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,5-bis(trifluoromethyl)phenyl]-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole is sourced from PubChem (CID 143910158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).