2-[(6-fluoro-2-pyridinyl)sulfanyl]-4-methyl-1,3-oxazole

C9H7FN2OS — CID 106923415

IUPAC2-[(6-fluoro-2-pyridinyl)sulfanyl]-4-methyl-1,3-oxazole
SMILESCc1coc(Sc2cccc(F)n2)n1
InChIInChI=1S/C9H7FN2OS/c1-6-5-13-9(11-6)14-8-4-2-3-7(10)12-8/h2-5H,1H3
InChIKeyBLEVOYMWRGEZGB-UHFFFAOYSA-N
MW210.23 g/mol
LogP2.67
Rot. Bonds2

About 2-[(6-fluoro-2-pyridinyl)sulfanyl]-4-methyl-1,3-oxazole

2-[(6-fluoro-2-pyridinyl)sulfanyl]-4-methyl-1,3-oxazole (PubChem CID 106923415) has the molecular formula C9H7FN2OS and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-[(6-fluoro-2-pyridinyl)sulfanyl]-4-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-[(6-fluoro-2-pyridinyl)sulfanyl]-4-methyl-1,3-oxazole
PubChem CID106923415
Molecular FormulaC9H7FN2OS
Molecular Weight210.23 g/mol
Exact Mass210.03
IUPAC Name2-[(6-fluoro-2-pyridinyl)sulfanyl]-4-methyl-1,3-oxazole
SMILESCc1coc(Sc2cccc(F)n2)n1
InChIInChI=1S/C9H7FN2OS/c1-6-5-13-9(11-6)14-8-4-2-3-7(10)12-8/h2-5H,1H3
InChIKeyBLEVOYMWRGEZGB-UHFFFAOYSA-N
XLogP2.67
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 52.67
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

6-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-3-carbonitrile
CID 100705565
4,5-Dimethyl-2-[6-(trifluoromethyl)pyridazin-3-yl]sulfanyl-1,3-oxazole
CID 84593435
4-Methyl-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]-1,3-oxazole
CID 103525453
4,5-Dimethyl-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]-1,3-oxazole
CID 103749776
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-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 106922619
2-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 106922838
2-[(6-Fluoro-2-pyridinyl)sulfanyl]-1,3-oxazole
CID 106923335
2-[(2-Fluoro-4-pyridinyl)sulfanyl]-4-methyl-1,3-oxazole
CID 106923441
2-[[6-Chloro-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-4-methyl-1,3-oxazole
CID 106923443
2-[(6-Fluoro-2-pyridinyl)sulfanyl]-4,5-dimethyl-1,3-oxazole
CID 106923491

Frequently Asked Questions

What is the IUPAC name of 2-[(6-fluoro-2-pyridinyl)sulfanyl]-4-methyl-1,3-oxazole?
The IUPAC name of 2-[(6-fluoro-2-pyridinyl)sulfanyl]-4-methyl-1,3-oxazole (CID 106923415) is 2-[(6-fluoro-2-pyridinyl)sulfanyl]-4-methyl-1,3-oxazole.
What is the SMILES notation for 2-[(6-fluoro-2-pyridinyl)sulfanyl]-4-methyl-1,3-oxazole?
The canonical SMILES for 2-[(6-fluoro-2-pyridinyl)sulfanyl]-4-methyl-1,3-oxazole is Cc1coc(Sc2cccc(F)n2)n1.
What is the InChIKey of 2-[(6-fluoro-2-pyridinyl)sulfanyl]-4-methyl-1,3-oxazole?
The InChIKey is BLEVOYMWRGEZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2OS/c1-6-5-13-9(11-6)14-8-4-2-3-7(10)12-8/h2-5H,1H3.
What are the key properties of 2-[(6-fluoro-2-pyridinyl)sulfanyl]-4-methyl-1,3-oxazole?
2-[(6-fluoro-2-pyridinyl)sulfanyl]-4-methyl-1,3-oxazole has a molecular weight of 210.23 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-fluoro-2-pyridinyl)sulfanyl]-4-methyl-1,3-oxazole is sourced from PubChem (CID 106923415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).