5-thiophen-2-yl-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-one

C14H9F3N2O2S — CID 26566421

IUPAC5-thiophen-2-yl-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-one
SMILESO=c1oc(-c2cccs2)nn1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H9F3N2O2S/c15-14(16,17)10-4-1-3-9(7-10)8-19-13(20)21-12(18-19)11-5-2-6-22-11/h1-7H,8H2
InChIKeyTZCCZTOUUWADLS-UHFFFAOYSA-N
MW326.30 g/mol
LogP3.63
Rot. Bonds3

About 5-thiophen-2-yl-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-one

5-thiophen-2-yl-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-one (PubChem CID 26566421) has the molecular formula C14H9F3N2O2S and a molecular weight of 326.30 g/mol. Its IUPAC name is 5-thiophen-2-yl-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-thiophen-2-yl-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-one
PubChem CID26566421
Molecular FormulaC14H9F3N2O2S
Molecular Weight326.30 g/mol
Exact Mass326.03
IUPAC Name5-thiophen-2-yl-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-one
SMILESO=c1oc(-c2cccs2)nn1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H9F3N2O2S/c15-14(16,17)10-4-1-3-9(7-10)8-19-13(20)21-12(18-19)11-5-2-6-22-11/h1-7H,8H2
InChIKeyTZCCZTOUUWADLS-UHFFFAOYSA-N
XLogP3.63
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.30
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-thiophen-2-yl-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-thiophen-2-yl-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-one (CID 26566421) is 5-thiophen-2-yl-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-thiophen-2-yl-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-thiophen-2-yl-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-one is O=c1oc(-c2cccs2)nn1Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-thiophen-2-yl-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-one?
The InChIKey is TZCCZTOUUWADLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2O2S/c15-14(16,17)10-4-1-3-9(7-10)8-19-13(20)21-12(18-19)11-5-2-6-22-11/h1-7H,8H2.
What are the key properties of 5-thiophen-2-yl-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-one?
5-thiophen-2-yl-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-one has a molecular weight of 326.30 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thiophen-2-yl-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 26566421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).