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

C16H11F3N2O2 — CID 71563552

IUPAC2-(4-methoxyphenyl)-5-[2-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(-c3ccccc3C(F)(F)F)o2)cc1
InChIInChI=1S/C16H11F3N2O2/c1-22-11-8-6-10(7-9-11)14-20-21-15(23-14)12-4-2-3-5-13(12)16(17,18)19/h2-9H,1H3
InChIKeyGFCFCPQWPQAOEI-UHFFFAOYSA-N
MW320.27 g/mol
LogP4.43
Rot. Bonds3

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

2-(4-methoxyphenyl)-5-[2-(trifluoromethyl)phenyl]-1,3,4-oxadiazole (PubChem CID 71563552) has the molecular formula C16H11F3N2O2 and a molecular weight of 320.27 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-5-[2-(trifluoromethyl)phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-5-[2-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
PubChem CID71563552
Molecular FormulaC16H11F3N2O2
Molecular Weight320.27 g/mol
Exact Mass320.08
IUPAC Name2-(4-methoxyphenyl)-5-[2-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(-c3ccccc3C(F)(F)F)o2)cc1
InChIInChI=1S/C16H11F3N2O2/c1-22-11-8-6-10(7-9-11)14-20-21-15(23-14)12-4-2-3-5-13(12)16(17,18)19/h2-9H,1H3
InChIKeyGFCFCPQWPQAOEI-UHFFFAOYSA-N
XLogP4.43
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluorophenyl)-5-[4-(4-methoxyphenyl)phenyl]-1,3,4-oxadiazole
CID 863660
2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 15957134
2-[3,5-bis[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 638609
2-(4-fluorophenyl)-5-[4-(4-methoxyphenyl)phenyl]-1,3,4-oxadiazole
CID 102032251
2-(4-methoxyphenyl)-4-[2-(trifluoromethyl)phenyl]-1,3-thiazole
CID 162536924
2-(2-tert-butylphenyl)-5-phenyl-1,3,4-oxadiazole
CID 150681431
4-methoxy-2,6-bis[2-(trifluoromethyl)phenyl]pyridine
CID 134618215
2-[(2-tert-butylphenoxy)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 110655868
2-(4-anthracen-9-ylphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 156612748
2-[4-[(4-methoxyphenoxy)methyl]phenyl]-5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 19550338
2-(methoxymethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 67274190
2-(4-methoxyphenyl)-5-[4-(4-methylsulfanylphenyl)phenyl]-1,3,4-oxadiazole
CID 102032244

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-5-[2-(trifluoromethyl)phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-methoxyphenyl)-5-[2-(trifluoromethyl)phenyl]-1,3,4-oxadiazole (CID 71563552) is 2-(4-methoxyphenyl)-5-[2-(trifluoromethyl)phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-methoxyphenyl)-5-[2-(trifluoromethyl)phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-methoxyphenyl)-5-[2-(trifluoromethyl)phenyl]-1,3,4-oxadiazole is COc1ccc(-c2nnc(-c3ccccc3C(F)(F)F)o2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-5-[2-(trifluoromethyl)phenyl]-1,3,4-oxadiazole?
The InChIKey is GFCFCPQWPQAOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O2/c1-22-11-8-6-10(7-9-11)14-20-21-15(23-14)12-4-2-3-5-13(12)16(17,18)19/h2-9H,1H3.
What are the key properties of 2-(4-methoxyphenyl)-5-[2-(trifluoromethyl)phenyl]-1,3,4-oxadiazole?
2-(4-methoxyphenyl)-5-[2-(trifluoromethyl)phenyl]-1,3,4-oxadiazole has a molecular weight of 320.27 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-5-[2-(trifluoromethyl)phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 71563552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).