5-[4-(2-methoxyphenyl)-3-methylphenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole

C23H17F3N2O3 — CID 25256565

IUPAC5-[4-(2-methoxyphenyl)-3-methylphenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
SMILESCOc1ccccc1-c1ccc(-c2nc(-c3ccccc3OC(F)(F)F)no2)cc1C
InChIInChI=1S/C23H17F3N2O3/c1-14-13-15(11-12-16(14)17-7-3-5-9-19(17)29-2)22-27-21(28-31-22)18-8-4-6-10-20(18)30-23(24,25)26/h3-13H,1-2H3
InChIKeyMGGZZJQVRZTTSN-UHFFFAOYSA-N
MW426.39 g/mol
LogP6.29
Rot. Bonds5

About 5-[4-(2-methoxyphenyl)-3-methylphenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole

5-[4-(2-methoxyphenyl)-3-methylphenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole (PubChem CID 25256565) has the molecular formula C23H17F3N2O3 and a molecular weight of 426.39 g/mol. Its IUPAC name is 5-[4-(2-methoxyphenyl)-3-methylphenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[4-(2-methoxyphenyl)-3-methylphenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
PubChem CID25256565
Molecular FormulaC23H17F3N2O3
Molecular Weight426.39 g/mol
Exact Mass426.12
IUPAC Name5-[4-(2-methoxyphenyl)-3-methylphenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
SMILESCOc1ccccc1-c1ccc(-c2nc(-c3ccccc3OC(F)(F)F)no2)cc1C
InChIInChI=1S/C23H17F3N2O3/c1-14-13-15(11-12-16(14)17-7-3-5-9-19(17)29-2)22-27-21(28-31-22)18-8-4-6-10-20(18)30-23(24,25)26/h3-13H,1-2H3
InChIKeyMGGZZJQVRZTTSN-UHFFFAOYSA-N
XLogP6.29
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.39
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

CID 11496072
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CID 11662328
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CID 24825338
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CID 24825340
CID 24825340
CID 44439850
CID 44439850
CID 2810518
CID 2810518
CID 619837
CID 619837
CID 2810519
CID 2810519
CID 16038017
CID 16038017
CID 44412867
CID 44412867
CID 5213518
CID 5213518
CID 877438
CID 877438

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-methoxyphenyl)-3-methylphenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-[4-(2-methoxyphenyl)-3-methylphenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole (CID 25256565) is 5-[4-(2-methoxyphenyl)-3-methylphenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[4-(2-methoxyphenyl)-3-methylphenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[4-(2-methoxyphenyl)-3-methylphenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole is COc1ccccc1-c1ccc(-c2nc(-c3ccccc3OC(F)(F)F)no2)cc1C.
What is the InChIKey of 5-[4-(2-methoxyphenyl)-3-methylphenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole?
The InChIKey is MGGZZJQVRZTTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N2O3/c1-14-13-15(11-12-16(14)17-7-3-5-9-19(17)29-2)22-27-21(28-31-22)18-8-4-6-10-20(18)30-23(24,25)26/h3-13H,1-2H3.
What are the key properties of 5-[4-(2-methoxyphenyl)-3-methylphenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole?
5-[4-(2-methoxyphenyl)-3-methylphenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole has a molecular weight of 426.39 g/mol, XLogP of 6.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-methoxyphenyl)-3-methylphenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 25256565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).