3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-5-phenyl-1,2,4-oxadiazole

C15H9ClF3N3OS — CID 154794042

IUPAC3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-5-phenyl-1,2,4-oxadiazole
SMILESFC(F)(F)c1cnc(SCc2noc(-c3ccccc3)n2)c(Cl)c1
InChIInChI=1S/C15H9ClF3N3OS/c16-11-6-10(15(17,18)19)7-20-14(11)24-8-12-21-13(23-22-12)9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyQGKLBENBTPLXGB-UHFFFAOYSA-N
MW371.77 g/mol
LogP5.10
Rot. Bonds4

About 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-5-phenyl-1,2,4-oxadiazole

3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-5-phenyl-1,2,4-oxadiazole (PubChem CID 154794042) has the molecular formula C15H9ClF3N3OS and a molecular weight of 371.77 g/mol. Its IUPAC name is 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-5-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-5-phenyl-1,2,4-oxadiazole
PubChem CID154794042
Molecular FormulaC15H9ClF3N3OS
Molecular Weight371.77 g/mol
Exact Mass371.01
IUPAC Name3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-5-phenyl-1,2,4-oxadiazole
SMILESFC(F)(F)c1cnc(SCc2noc(-c3ccccc3)n2)c(Cl)c1
InChIInChI=1S/C15H9ClF3N3OS/c16-11-6-10(15(17,18)19)7-20-14(11)24-8-12-21-13(23-22-12)9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyQGKLBENBTPLXGB-UHFFFAOYSA-N
XLogP5.10
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.77
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-5-phenyl-1,3-oxazole
CID 8850174
3-chloro-2-[(2,6-dichlorophenyl)methylsulfanyl]-5-(trifluoromethyl)pyridine
CID 2744944
5-phenyl-3-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-1,2,4-oxadiazole
CID 86917946
3-chloro-2-[(4-chlorophenyl)methylsulfanyl]-5-(trifluoromethyl)pyridine
CID 2744942
4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]sulfamoyl]benzoic acid
CID 66601030
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanamine;hydrochloride
CID 43810441
5-(4-methoxyphenyl)-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,2,4-oxadiazole
CID 31531671
3-chloro-2-ethylsulfanyl-5-(trifluoromethyl)pyridine
CID 112776146
5-(4-methoxyphenyl)-3-[[2-(trifluoromethyl)quinazolin-4-yl]sulfanylmethyl]-1,2,4-oxadiazole
CID 31531733
3-[(4-bromophenyl)sulfanylmethyl]-5-phenyl-1,2,4-oxadiazole
CID 54095590
methyl 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]sulfamoyl]benzoate
CID 66601382
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]isoindole-1,3-dione
CID 8852189

Frequently Asked Questions

What is the IUPAC name of 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-5-phenyl-1,2,4-oxadiazole?
The IUPAC name of 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-5-phenyl-1,2,4-oxadiazole (CID 154794042) is 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-5-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-5-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-5-phenyl-1,2,4-oxadiazole is FC(F)(F)c1cnc(SCc2noc(-c3ccccc3)n2)c(Cl)c1.
What is the InChIKey of 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-5-phenyl-1,2,4-oxadiazole?
The InChIKey is QGKLBENBTPLXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF3N3OS/c16-11-6-10(15(17,18)19)7-20-14(11)24-8-12-21-13(23-22-12)9-4-2-1-3-5-9/h1-7H,8H2.
What are the key properties of 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-5-phenyl-1,2,4-oxadiazole?
3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-5-phenyl-1,2,4-oxadiazole has a molecular weight of 371.77 g/mol, XLogP of 5.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-5-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 154794042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).