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

C18H10F3N3OS — CID 25110303

IUPAC5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESFC(F)(F)c1sc(-c2nc(-c3ccncc3)no2)cc1-c1ccccc1
InChIInChI=1S/C18H10F3N3OS/c19-18(20,21)15-13(11-4-2-1-3-5-11)10-14(26-15)17-23-16(24-25-17)12-6-8-22-9-7-12/h1-10H
InChIKeyAGLJJYGICYDNEN-UHFFFAOYSA-N
MW373.36 g/mol
LogP5.55
Rot. Bonds3

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

5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 25110303) has the molecular formula C18H10F3N3OS and a molecular weight of 373.36 g/mol. Its IUPAC name is 5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
PubChem CID25110303
Molecular FormulaC18H10F3N3OS
Molecular Weight373.36 g/mol
Exact Mass373.05
IUPAC Name5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESFC(F)(F)c1sc(-c2nc(-c3ccncc3)no2)cc1-c1ccccc1
InChIInChI=1S/C18H10F3N3OS/c19-18(20,21)15-13(11-4-2-1-3-5-11)10-14(26-15)17-23-16(24-25-17)12-6-8-22-9-7-12/h1-10H
InChIKeyAGLJJYGICYDNEN-UHFFFAOYSA-N
XLogP5.55
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.36
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole (CID 25110303) is 5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole is FC(F)(F)c1sc(-c2nc(-c3ccncc3)no2)cc1-c1ccccc1.
What is the InChIKey of 5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole?
The InChIKey is AGLJJYGICYDNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F3N3OS/c19-18(20,21)15-13(11-4-2-1-3-5-11)10-14(26-15)17-23-16(24-25-17)12-6-8-22-9-7-12/h1-10H.
What are the key properties of 5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole?
5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole has a molecular weight of 373.36 g/mol, XLogP of 5.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 25110303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).