5-thiophen-3-yl-3-[[3-(trifluoromethyl)phenoxy]methyl]-1,2,4-oxadiazole

C14H9F3N2O2S — CID 2739642

IUPAC5-thiophen-3-yl-3-[[3-(trifluoromethyl)phenoxy]methyl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1cccc(OCc2noc(-c3ccsc3)n2)c1
InChIInChI=1S/C14H9F3N2O2S/c15-14(16,17)10-2-1-3-11(6-10)20-7-12-18-13(21-19-12)9-4-5-22-8-9/h1-6,8H,7H2
InChIKeyRQGNJHATDBUUIW-UHFFFAOYSA-N
MW326.30 g/mol
LogP4.40
Rot. Bonds4

About 5-thiophen-3-yl-3-[[3-(trifluoromethyl)phenoxy]methyl]-1,2,4-oxadiazole

5-thiophen-3-yl-3-[[3-(trifluoromethyl)phenoxy]methyl]-1,2,4-oxadiazole (PubChem CID 2739642) has the molecular formula C14H9F3N2O2S and a molecular weight of 326.30 g/mol. Its IUPAC name is 5-thiophen-3-yl-3-[[3-(trifluoromethyl)phenoxy]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-thiophen-3-yl-3-[[3-(trifluoromethyl)phenoxy]methyl]-1,2,4-oxadiazole
PubChem CID2739642
Molecular FormulaC14H9F3N2O2S
Molecular Weight326.30 g/mol
Exact Mass326.03
IUPAC Name5-thiophen-3-yl-3-[[3-(trifluoromethyl)phenoxy]methyl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1cccc(OCc2noc(-c3ccsc3)n2)c1
InChIInChI=1S/C14H9F3N2O2S/c15-14(16,17)10-2-1-3-11(6-10)20-7-12-18-13(21-19-12)9-4-5-22-8-9/h1-6,8H,7H2
InChIKeyRQGNJHATDBUUIW-UHFFFAOYSA-N
XLogP4.40
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.30
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(Phenoxymethyl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 718731
4-[3-(3-Methoxyphenyl)-1,2,4-oxadiazol-5-yl]thiophene-2-sulfonamide
CID 155539552
5-(3-Methoxyphenyl)-3-(2-thienyl)-1,2,4-oxadiazole
CID 718728
3-(3,4-Dimethoxyphenyl)-5-(thiophen-2-yl)-1,2,4-oxadiazole
CID 1221653
4-[(5-Thiophen-3-yl-1,2,4-oxadiazol-3-yl)methoxy]benzonitrile
CID 2739643
3-(2-Methoxyphenyl)-5-(thiophen-2-yl)-1,2,4-oxadiazole
CID 1870209
5-(3-Chloro-thiophen-2-yl)-3-(4-trifluoromethoxy-phenyl)-[1,2,4]oxadiazole
CID 10132392
3-(3-Methoxyphenyl)-5-(thiophen-2-yl)-1,2,4-oxadiazole
CID 665971
3-(4-Methoxyphenyl)-5-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
CID 803048
5-[(4-Fluorophenoxy)methyl]-3-(2-thienyl)-1,2,4-oxadiazole
CID 1504302
3-[(2,4-Dichlorophenoxy)methyl]-5-(3-thienyl)-1,2,4-oxadiazole
CID 2739641
3-[(2,6-Dichloro-4-fluorophenoxy)methyl]-5-(3-thienyl)-1,2,4-oxadiazole
CID 2739748

Frequently Asked Questions

What is the IUPAC name of 5-thiophen-3-yl-3-[[3-(trifluoromethyl)phenoxy]methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-thiophen-3-yl-3-[[3-(trifluoromethyl)phenoxy]methyl]-1,2,4-oxadiazole (CID 2739642) is 5-thiophen-3-yl-3-[[3-(trifluoromethyl)phenoxy]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-thiophen-3-yl-3-[[3-(trifluoromethyl)phenoxy]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-thiophen-3-yl-3-[[3-(trifluoromethyl)phenoxy]methyl]-1,2,4-oxadiazole is FC(F)(F)c1cccc(OCc2noc(-c3ccsc3)n2)c1.
What is the InChIKey of 5-thiophen-3-yl-3-[[3-(trifluoromethyl)phenoxy]methyl]-1,2,4-oxadiazole?
The InChIKey is RQGNJHATDBUUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2O2S/c15-14(16,17)10-2-1-3-11(6-10)20-7-12-18-13(21-19-12)9-4-5-22-8-9/h1-6,8H,7H2.
What are the key properties of 5-thiophen-3-yl-3-[[3-(trifluoromethyl)phenoxy]methyl]-1,2,4-oxadiazole?
5-thiophen-3-yl-3-[[3-(trifluoromethyl)phenoxy]methyl]-1,2,4-oxadiazole has a molecular weight of 326.30 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thiophen-3-yl-3-[[3-(trifluoromethyl)phenoxy]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 2739642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).