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

C10H7F3N2O2 — CID 23184365

IUPAC3-(4-methoxyphenyl)-5-(trifluoromethyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C10H7F3N2O2/c1-16-7-4-2-6(3-5-7)8-14-9(17-15-8)10(11,12)13/h2-5H,1H3
InChIKeyXJEHWANYWLYVJZ-UHFFFAOYSA-N
MW244.17 g/mol
LogP2.76
Rot. Bonds2

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

3-(4-methoxyphenyl)-5-(trifluoromethyl)-1,2,4-oxadiazole (PubChem CID 23184365) has the molecular formula C10H7F3N2O2 and a molecular weight of 244.17 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-5-(trifluoromethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-5-(trifluoromethyl)-1,2,4-oxadiazole
PubChem CID23184365
Molecular FormulaC10H7F3N2O2
Molecular Weight244.17 g/mol
Exact Mass244.05
IUPAC Name3-(4-methoxyphenyl)-5-(trifluoromethyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C10H7F3N2O2/c1-16-7-4-2-6(3-5-7)8-14-9(17-15-8)10(11,12)13/h2-5H,1H3
InChIKeyXJEHWANYWLYVJZ-UHFFFAOYSA-N
XLogP2.76
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.17
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-5-(trifluoromethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(4-methoxyphenyl)-5-(trifluoromethyl)-1,2,4-oxadiazole (CID 23184365) is 3-(4-methoxyphenyl)-5-(trifluoromethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-methoxyphenyl)-5-(trifluoromethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-methoxyphenyl)-5-(trifluoromethyl)-1,2,4-oxadiazole is COc1ccc(-c2noc(C(F)(F)F)n2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-5-(trifluoromethyl)-1,2,4-oxadiazole?
The InChIKey is XJEHWANYWLYVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O2/c1-16-7-4-2-6(3-5-7)8-14-9(17-15-8)10(11,12)13/h2-5H,1H3.
What are the key properties of 3-(4-methoxyphenyl)-5-(trifluoromethyl)-1,2,4-oxadiazole?
3-(4-methoxyphenyl)-5-(trifluoromethyl)-1,2,4-oxadiazole has a molecular weight of 244.17 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-5-(trifluoromethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 23184365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).