2-(2,4-dichlorophenyl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,3,4-oxadiazole

C19H9Cl2F3N2OS — CID 2740147

IUPAC2-(2,4-dichlorophenyl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,3,4-oxadiazole
SMILESFC(F)(F)c1sc(-c2nnc(-c3ccc(Cl)cc3Cl)o2)cc1-c1ccccc1
InChIInChI=1S/C19H9Cl2F3N2OS/c20-11-6-7-12(14(21)8-11)17-25-26-18(27-17)15-9-13(10-4-2-1-3-5-10)16(28-15)19(22,23)24/h1-9H
InChIKeyIFPSSHREDTYTJO-UHFFFAOYSA-N
MW441.26 g/mol
LogP7.46
Rot. Bonds3

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

2-(2,4-dichlorophenyl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,3,4-oxadiazole (PubChem CID 2740147) has the molecular formula C19H9Cl2F3N2OS and a molecular weight of 441.26 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,3,4-oxadiazole
PubChem CID2740147
Molecular FormulaC19H9Cl2F3N2OS
Molecular Weight441.26 g/mol
Exact Mass439.98
IUPAC Name2-(2,4-dichlorophenyl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,3,4-oxadiazole
SMILESFC(F)(F)c1sc(-c2nnc(-c3ccc(Cl)cc3Cl)o2)cc1-c1ccccc1
InChIInChI=1S/C19H9Cl2F3N2OS/c20-11-6-7-12(14(21)8-11)17-25-26-18(27-17)15-9-13(10-4-2-1-3-5-10)16(28-15)19(22,23)24/h1-9H
InChIKeyIFPSSHREDTYTJO-UHFFFAOYSA-N
XLogP7.46
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.26
LogP ≤ 57.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-(2,4-dichlorophenyl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,3,4-oxadiazole (CID 2740147) is 2-(2,4-dichlorophenyl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(2,4-dichlorophenyl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,3,4-oxadiazole is FC(F)(F)c1sc(-c2nnc(-c3ccc(Cl)cc3Cl)o2)cc1-c1ccccc1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,3,4-oxadiazole?
The InChIKey is IFPSSHREDTYTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H9Cl2F3N2OS/c20-11-6-7-12(14(21)8-11)17-25-26-18(27-17)15-9-13(10-4-2-1-3-5-10)16(28-15)19(22,23)24/h1-9H.
What are the key properties of 2-(2,4-dichlorophenyl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,3,4-oxadiazole?
2-(2,4-dichlorophenyl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,3,4-oxadiazole has a molecular weight of 441.26 g/mol, XLogP of 7.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 2740147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).