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

C16H10F3N3O3 — CID 18921375

IUPAC2-(oxiran-2-yl)-5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole
SMILESFC(F)(F)c1cccc(Oc2cccc(-c3nnc(C4CO4)o3)n2)c1
InChIInChI=1S/C16H10F3N3O3/c17-16(18,19)9-3-1-4-10(7-9)24-13-6-2-5-11(20-13)14-21-22-15(25-14)12-8-23-12/h1-7,12H,8H2
InChIKeyUXHDBHSUMOTVQH-UHFFFAOYSA-N
MW349.27 g/mol
LogP4.01
Rot. Bonds4

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

2-(oxiran-2-yl)-5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole (PubChem CID 18921375) has the molecular formula C16H10F3N3O3 and a molecular weight of 349.27 g/mol. Its IUPAC name is 2-(oxiran-2-yl)-5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(oxiran-2-yl)-5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole
PubChem CID18921375
Molecular FormulaC16H10F3N3O3
Molecular Weight349.27 g/mol
Exact Mass349.07
IUPAC Name2-(oxiran-2-yl)-5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole
SMILESFC(F)(F)c1cccc(Oc2cccc(-c3nnc(C4CO4)o3)n2)c1
InChIInChI=1S/C16H10F3N3O3/c17-16(18,19)9-3-1-4-10(7-9)24-13-6-2-5-11(20-13)14-21-22-15(25-14)12-8-23-12/h1-7,12H,8H2
InChIKeyUXHDBHSUMOTVQH-UHFFFAOYSA-N
XLogP4.01
TPSA73.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.27
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

Ethyl 5-[6-[3-(trifluoromethyl)phenoxy]pyridin-2-yl]-1,3,4-oxadiazole-2-carboxylate
CID 18921370
2-(2,2,2-Trifluoroethoxy)-5-[6-[3-(trifluoromethyl)phenoxy]pyridin-2-yl]-1,3,4-oxadiazole
CID 18921377
2-Methyl-5-[6-[3-(trifluoromethyl)phenoxy]pyridin-2-yl]-1,3,4-oxadiazole
CID 18921384
2-Methylsulfanyl-5-[6-[3-(trifluoromethyl)phenoxy]pyridin-2-yl]-1,3,4-oxadiazole
CID 18921386
5-[6-[3-(Trifluoromethyl)phenoxy]pyridin-2-yl]-1,3,4-oxadiazole-2-carbonitrile
CID 18921388
5-[6-[3-(Trifluoromethyl)phenoxy]pyridin-2-yl]-1,3,4-oxadiazole-2-carboxamide
CID 18921390
2-Methylsulfonyl-5-[6-[3-(trifluoromethyl)phenoxy]pyridin-2-yl]-1,3,4-oxadiazole
CID 18921393
2-(2-Chloroethyl)-5-[6-[3-(trifluoromethyl)phenoxy]pyridin-2-yl]-1,3,4-oxadiazole
CID 18921396
2-Ethenyl-5-[6-[3-(trifluoromethyl)phenoxy]pyridin-2-yl]-1,3,4-oxadiazole
CID 18921400
2-(1,1,2,2,2-Pentafluoroethyl)-5-[6-[3-(trifluoromethyl)phenoxy]pyridin-2-yl]-1,3,4-oxadiazole
CID 18921401
2-(5-(2-(Benzyloxy)-1,1,1-trifluoropropan-2-yl)-1,3,4-oxadiazol-2-yl)-6-methoxy-5-(trifluoromethyl)pyridin-3-amine
CID 86729588
2-(6-Chloro-2-pyridinyl)-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,3,4-oxadiazole
CID 141002753

Frequently Asked Questions

What is the IUPAC name of 2-(oxiran-2-yl)-5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(oxiran-2-yl)-5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole (CID 18921375) is 2-(oxiran-2-yl)-5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(oxiran-2-yl)-5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(oxiran-2-yl)-5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole is FC(F)(F)c1cccc(Oc2cccc(-c3nnc(C4CO4)o3)n2)c1.
What is the InChIKey of 2-(oxiran-2-yl)-5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole?
The InChIKey is UXHDBHSUMOTVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N3O3/c17-16(18,19)9-3-1-4-10(7-9)24-13-6-2-5-11(20-13)14-21-22-15(25-14)12-8-23-12/h1-7,12H,8H2.
What are the key properties of 2-(oxiran-2-yl)-5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole?
2-(oxiran-2-yl)-5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole has a molecular weight of 349.27 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxiran-2-yl)-5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole is sourced from PubChem (CID 18921375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).