2-ethenyl-5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole

C16H10F3N3O2 — CID 18921400

IUPAC2-ethenyl-5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole
SMILESC=Cc1nnc(-c2cccc(Oc3cccc(C(F)(F)F)c3)n2)o1
InChIInChI=1S/C16H10F3N3O2/c1-2-13-21-22-15(24-13)12-7-4-8-14(20-12)23-11-6-3-5-10(9-11)16(17,18)19/h2-9H,1H2
InChIKeyWHXZRIOCSYROJR-UHFFFAOYSA-N
MW333.27 g/mol
LogP4.59
Rot. Bonds4

About 2-ethenyl-5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole

2-ethenyl-5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole (PubChem CID 18921400) has the molecular formula C16H10F3N3O2 and a molecular weight of 333.27 g/mol. Its IUPAC name is 2-ethenyl-5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-ethenyl-5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole
PubChem CID18921400
Molecular FormulaC16H10F3N3O2
Molecular Weight333.27 g/mol
Exact Mass333.07
IUPAC Name2-ethenyl-5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole
SMILESC=Cc1nnc(-c2cccc(Oc3cccc(C(F)(F)F)c3)n2)o1
InChIInChI=1S/C16H10F3N3O2/c1-2-13-21-22-15(24-13)12-7-4-8-14(20-12)23-11-6-3-5-10(9-11)16(17,18)19/h2-9H,1H2
InChIKeyWHXZRIOCSYROJR-UHFFFAOYSA-N
XLogP4.59
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.27
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole?
The IUPAC name of 2-ethenyl-5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole (CID 18921400) is 2-ethenyl-5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-ethenyl-5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-ethenyl-5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole is C=Cc1nnc(-c2cccc(Oc3cccc(C(F)(F)F)c3)n2)o1.
What is the InChIKey of 2-ethenyl-5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole?
The InChIKey is WHXZRIOCSYROJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N3O2/c1-2-13-21-22-15(24-13)12-7-4-8-14(20-12)23-11-6-3-5-10(9-11)16(17,18)19/h2-9H,1H2.
What are the key properties of 2-ethenyl-5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole?
2-ethenyl-5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole has a molecular weight of 333.27 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole is sourced from PubChem (CID 18921400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).