5-(3-chlorothiophen-2-yl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole

C13H6ClF3N2O2S — CID 10132392

IUPAC5-(3-chlorothiophen-2-yl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
SMILESFC(F)(F)Oc1ccc(-c2noc(-c3sccc3Cl)n2)cc1
InChIInChI=1S/C13H6ClF3N2O2S/c14-9-5-6-22-10(9)12-18-11(19-21-12)7-1-3-8(4-2-7)20-13(15,16)17/h1-6H
InChIKeyVQJZUMHDYQXTTI-UHFFFAOYSA-N
MW346.72 g/mol
LogP5.02
Rot. Bonds3

About 5-(3-chlorothiophen-2-yl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole

5-(3-chlorothiophen-2-yl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole (PubChem CID 10132392) has the molecular formula C13H6ClF3N2O2S and a molecular weight of 346.72 g/mol. Its IUPAC name is 5-(3-chlorothiophen-2-yl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-chlorothiophen-2-yl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
PubChem CID10132392
Molecular FormulaC13H6ClF3N2O2S
Molecular Weight346.72 g/mol
Exact Mass345.98
IUPAC Name5-(3-chlorothiophen-2-yl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
SMILESFC(F)(F)Oc1ccc(-c2noc(-c3sccc3Cl)n2)cc1
InChIInChI=1S/C13H6ClF3N2O2S/c14-9-5-6-22-10(9)12-18-11(19-21-12)7-1-3-8(4-2-7)20-13(15,16)17/h1-6H
InChIKeyVQJZUMHDYQXTTI-UHFFFAOYSA-N
XLogP5.02
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.72
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorothiophen-2-yl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(3-chlorothiophen-2-yl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole (CID 10132392) is 5-(3-chlorothiophen-2-yl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-chlorothiophen-2-yl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-chlorothiophen-2-yl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole is FC(F)(F)Oc1ccc(-c2noc(-c3sccc3Cl)n2)cc1.
What is the InChIKey of 5-(3-chlorothiophen-2-yl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole?
The InChIKey is VQJZUMHDYQXTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6ClF3N2O2S/c14-9-5-6-22-10(9)12-18-11(19-21-12)7-1-3-8(4-2-7)20-13(15,16)17/h1-6H.
What are the key properties of 5-(3-chlorothiophen-2-yl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole?
5-(3-chlorothiophen-2-yl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole has a molecular weight of 346.72 g/mol, XLogP of 5.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorothiophen-2-yl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 10132392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).