2-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyridine-3-carbonitrile

C10H4F3N3OS — CID 106922353

IUPAC2-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(C(F)(F)F)nc1Sc1ncco1
InChIInChI=1S/C10H4F3N3OS/c11-10(12,13)7-2-1-6(5-14)8(16-7)18-9-15-3-4-17-9/h1-4H
InChIKeyLBXDLNQNRNHWJE-UHFFFAOYSA-N
MW271.22 g/mol
LogP3.11
Rot. Bonds2

About 2-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyridine-3-carbonitrile

2-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 106922353) has the molecular formula C10H4F3N3OS and a molecular weight of 271.22 g/mol. Its IUPAC name is 2-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID106922353
Molecular FormulaC10H4F3N3OS
Molecular Weight271.22 g/mol
Exact Mass271.00
IUPAC Name2-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(C(F)(F)F)nc1Sc1ncco1
InChIInChI=1S/C10H4F3N3OS/c11-10(12,13)7-2-1-6(5-14)8(16-7)18-9-15-3-4-17-9/h1-4H
InChIKeyLBXDLNQNRNHWJE-UHFFFAOYSA-N
XLogP3.11
TPSA62.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.22
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-3-carbonitrile
CID 100705565
2-[[(8Z)-7-imino-8-[2-imino-2-(1,3-oxazol-2-yl)ethylidene]-6-thia-4-azaspiro[2.5]oct-4-en-5-yl]sulfanylmethyl]-5-(trifluoromethyl)pyridine-3-carbonitrile
CID 178014619
2-[(5-Tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 47026358
2-[(2,3,5,6-Tetrafluoro-4-pyridinyl)sulfanyl]-1,3-oxazole
CID 106898495
4-(1,3-Oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyridin-3-amine
CID 106921320
2-(1,3-Oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 106922364
2-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 106922395
2-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 106922434
N'-hydroxy-2-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 106922575
2-(1,3-Oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 106922797
2-[(6-Fluoro-2-pyridinyl)sulfanyl]-1,3-oxazole
CID 106923335
2-[(2-Fluoro-4-pyridinyl)sulfanyl]-1,3-oxazole
CID 106923362

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyridine-3-carbonitrile (CID 106922353) is 2-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyridine-3-carbonitrile is N#Cc1ccc(C(F)(F)F)nc1Sc1ncco1.
What is the InChIKey of 2-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is LBXDLNQNRNHWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F3N3OS/c11-10(12,13)7-2-1-6(5-14)8(16-7)18-9-15-3-4-17-9/h1-4H.
What are the key properties of 2-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyridine-3-carbonitrile?
2-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 271.22 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 106922353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).