2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]-1,3-oxazole

C8H2F4N2OS — CID 106898495

IUPAC2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]-1,3-oxazole
SMILESFc1nc(F)c(F)c(Sc2ncco2)c1F
InChIInChI=1S/C8H2F4N2OS/c9-3-5(16-8-13-1-2-15-8)4(10)7(12)14-6(3)11/h1-2H
InChIKeyRKPMJTXOVWCNPM-UHFFFAOYSA-N
MW250.18 g/mol
LogP2.78
Rot. Bonds2

About 2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]-1,3-oxazole

2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]-1,3-oxazole (PubChem CID 106898495) has the molecular formula C8H2F4N2OS and a molecular weight of 250.18 g/mol. Its IUPAC name is 2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]-1,3-oxazole
PubChem CID106898495
Molecular FormulaC8H2F4N2OS
Molecular Weight250.18 g/mol
Exact Mass249.98
IUPAC Name2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]-1,3-oxazole
SMILESFc1nc(F)c(F)c(Sc2ncco2)c1F
InChIInChI=1S/C8H2F4N2OS/c9-3-5(16-8-13-1-2-15-8)4(10)7(12)14-6(3)11/h1-2H
InChIKeyRKPMJTXOVWCNPM-UHFFFAOYSA-N
XLogP2.78
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.18
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-(1,3-Oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyridin-3-amine
CID 106921320
2-(1,3-Oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 106922353
2-[(6-Fluoro-2-pyridinyl)sulfanyl]-1,3-oxazole
CID 106923335
2-[(2-Fluoro-4-pyridinyl)sulfanyl]-1,3-oxazole
CID 106923362
2-[[6-Chloro-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,3-oxazole
CID 106923364
2-[(2-Fluoro-4-pyridinyl)sulfanyl]-4-methyl-1,3-oxazole
CID 106923441
2-[(5-Chloro-3-fluoro-2-pyridinyl)sulfanyl]-1,3-oxazole
CID 106924199
2-[(5-Bromo-3-fluoro-2-pyridinyl)sulfanyl]-1,3-oxazole
CID 108166533
2-[(3,5,6-Trifluoro-2-pyridinyl)sulfanyl]-1,3-oxazole
CID 108363094
3,5-Difluoro-6-(1,3-oxazol-2-ylsulfanyl)pyridin-2-amine
CID 108371524
3,5-difluoro-N-methyl-6-(1,3-oxazol-2-ylsulfanyl)pyridin-2-amine
CID 108371526
[2-(1,3-Oxazol-2-ylsulfanyl)-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 113893660

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]-1,3-oxazole?
The IUPAC name of 2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]-1,3-oxazole (CID 106898495) is 2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]-1,3-oxazole.
What is the SMILES notation for 2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]-1,3-oxazole?
The canonical SMILES for 2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]-1,3-oxazole is Fc1nc(F)c(F)c(Sc2ncco2)c1F.
What is the InChIKey of 2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]-1,3-oxazole?
The InChIKey is RKPMJTXOVWCNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2F4N2OS/c9-3-5(16-8-13-1-2-15-8)4(10)7(12)14-6(3)11/h1-2H.
What are the key properties of 2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]-1,3-oxazole?
2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]-1,3-oxazole has a molecular weight of 250.18 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]-1,3-oxazole is sourced from PubChem (CID 106898495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).