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

C15H10F3N3OS — CID 7658216

IUPAC2-pyridin-4-yl-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-oxadiazole
SMILESFC(F)(F)c1ccc(CSc2nnc(-c3ccncc3)o2)cc1
InChIInChI=1S/C15H10F3N3OS/c16-15(17,18)12-3-1-10(2-4-12)9-23-14-21-20-13(22-14)11-5-7-19-8-6-11/h1-8H,9H2
InChIKeyHNCJGNANAWAELF-UHFFFAOYSA-N
MW337.33 g/mol
LogP4.44
Rot. Bonds4

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

2-pyridin-4-yl-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-oxadiazole (PubChem CID 7658216) has the molecular formula C15H10F3N3OS and a molecular weight of 337.33 g/mol. Its IUPAC name is 2-pyridin-4-yl-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-pyridin-4-yl-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-oxadiazole
PubChem CID7658216
Molecular FormulaC15H10F3N3OS
Molecular Weight337.33 g/mol
Exact Mass337.05
IUPAC Name2-pyridin-4-yl-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-oxadiazole
SMILESFC(F)(F)c1ccc(CSc2nnc(-c3ccncc3)o2)cc1
InChIInChI=1S/C15H10F3N3OS/c16-15(17,18)12-3-1-10(2-4-12)9-23-14-21-20-13(22-14)11-5-7-19-8-6-11/h1-8H,9H2
InChIKeyHNCJGNANAWAELF-UHFFFAOYSA-N
XLogP4.44
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-yl-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-oxadiazole?
The IUPAC name of 2-pyridin-4-yl-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-oxadiazole (CID 7658216) is 2-pyridin-4-yl-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-pyridin-4-yl-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-pyridin-4-yl-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-oxadiazole is FC(F)(F)c1ccc(CSc2nnc(-c3ccncc3)o2)cc1.
What is the InChIKey of 2-pyridin-4-yl-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-oxadiazole?
The InChIKey is HNCJGNANAWAELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3OS/c16-15(17,18)12-3-1-10(2-4-12)9-23-14-21-20-13(22-14)11-5-7-19-8-6-11/h1-8H,9H2.
What are the key properties of 2-pyridin-4-yl-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-oxadiazole?
2-pyridin-4-yl-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-oxadiazole has a molecular weight of 337.33 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-yl-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-oxadiazole is sourced from PubChem (CID 7658216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).