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

C16H10F4N2O2 — CID 46171762

IUPAC3-[(2-fluorophenoxy)methyl]-5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESFc1ccccc1OCc1noc(-c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C16H10F4N2O2/c17-12-7-3-4-8-13(12)23-9-14-21-15(24-22-14)10-5-1-2-6-11(10)16(18,19)20/h1-8H,9H2
InChIKeyBPWHMBADGFMPBR-UHFFFAOYSA-N
MW338.26 g/mol
LogP4.47
Rot. Bonds4

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

3-[(2-fluorophenoxy)methyl]-5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (PubChem CID 46171762) has the molecular formula C16H10F4N2O2 and a molecular weight of 338.26 g/mol. Its IUPAC name is 3-[(2-fluorophenoxy)methyl]-5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(2-fluorophenoxy)methyl]-5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
PubChem CID46171762
Molecular FormulaC16H10F4N2O2
Molecular Weight338.26 g/mol
Exact Mass338.07
IUPAC Name3-[(2-fluorophenoxy)methyl]-5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESFc1ccccc1OCc1noc(-c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C16H10F4N2O2/c17-12-7-3-4-8-13(12)23-9-14-21-15(24-22-14)10-5-1-2-6-11(10)16(18,19)20/h1-8H,9H2
InChIKeyBPWHMBADGFMPBR-UHFFFAOYSA-N
XLogP4.47
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.26
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,4-dichlorophenyl)-3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazole
CID 42692313
2-[5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]ethanol
CID 115079288
3-[(2-fluoro-5-methylphenoxy)methyl]-5-(2-methylphenyl)-1,2,4-oxadiazole
CID 42692342
1-[5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 62653408
3-[(2-chlorophenoxy)methyl]-5-(2,6-difluorophenyl)-1,2,4-oxadiazole
CID 42692478
N-methyl-3-[5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 115079341
3-[(4-fluoro-2-methylphenoxy)methyl]-5-(2-methylphenyl)-1,2,4-oxadiazole
CID 42880227
3-bromo-5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 112571512
1-[3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-methylmethanamine
CID 120893585
3-[(4-fluoro-3-methylphenoxy)methyl]-5-(2-fluorophenyl)-1,2,4-oxadiazole
CID 42880230
3-(naphthalen-1-yloxymethyl)-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 42692407
5-[(2-fluorophenoxy)methyl]-3-propyl-1,2,4-oxadiazole
CID 60731170

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenoxy)methyl]-5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[(2-fluorophenoxy)methyl]-5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (CID 46171762) is 3-[(2-fluorophenoxy)methyl]-5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(2-fluorophenoxy)methyl]-5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[(2-fluorophenoxy)methyl]-5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is Fc1ccccc1OCc1noc(-c2ccccc2C(F)(F)F)n1.
What is the InChIKey of 3-[(2-fluorophenoxy)methyl]-5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The InChIKey is BPWHMBADGFMPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F4N2O2/c17-12-7-3-4-8-13(12)23-9-14-21-15(24-22-14)10-5-1-2-6-11(10)16(18,19)20/h1-8H,9H2.
What are the key properties of 3-[(2-fluorophenoxy)methyl]-5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
3-[(2-fluorophenoxy)methyl]-5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazole has a molecular weight of 338.26 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenoxy)methyl]-5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 46171762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).