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

C9H7FN2OS — CID 106923441

IUPAC2-[(2-fluoro-4-pyridinyl)sulfanyl]-4-methyl-1,3-oxazole
SMILESCc1coc(Sc2ccnc(F)c2)n1
InChIInChI=1S/C9H7FN2OS/c1-6-5-13-9(12-6)14-7-2-3-11-8(10)4-7/h2-5H,1H3
InChIKeySXLCIYYNZFUSPM-UHFFFAOYSA-N
MW210.23 g/mol
LogP2.67
Rot. Bonds2

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

2-[(2-fluoro-4-pyridinyl)sulfanyl]-4-methyl-1,3-oxazole (PubChem CID 106923441) has the molecular formula C9H7FN2OS and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-[(2-fluoro-4-pyridinyl)sulfanyl]-4-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-[(2-fluoro-4-pyridinyl)sulfanyl]-4-methyl-1,3-oxazole
PubChem CID106923441
Molecular FormulaC9H7FN2OS
Molecular Weight210.23 g/mol
Exact Mass210.03
IUPAC Name2-[(2-fluoro-4-pyridinyl)sulfanyl]-4-methyl-1,3-oxazole
SMILESCc1coc(Sc2ccnc(F)c2)n1
InChIInChI=1S/C9H7FN2OS/c1-6-5-13-9(12-6)14-7-2-3-11-8(10)4-7/h2-5H,1H3
InChIKeySXLCIYYNZFUSPM-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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Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluoro-4-pyridinyl)sulfanyl]-4-methyl-1,3-oxazole?
The IUPAC name of 2-[(2-fluoro-4-pyridinyl)sulfanyl]-4-methyl-1,3-oxazole (CID 106923441) is 2-[(2-fluoro-4-pyridinyl)sulfanyl]-4-methyl-1,3-oxazole.
What is the SMILES notation for 2-[(2-fluoro-4-pyridinyl)sulfanyl]-4-methyl-1,3-oxazole?
The canonical SMILES for 2-[(2-fluoro-4-pyridinyl)sulfanyl]-4-methyl-1,3-oxazole is Cc1coc(Sc2ccnc(F)c2)n1.
What is the InChIKey of 2-[(2-fluoro-4-pyridinyl)sulfanyl]-4-methyl-1,3-oxazole?
The InChIKey is SXLCIYYNZFUSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2OS/c1-6-5-13-9(12-6)14-7-2-3-11-8(10)4-7/h2-5H,1H3.
What are the key properties of 2-[(2-fluoro-4-pyridinyl)sulfanyl]-4-methyl-1,3-oxazole?
2-[(2-fluoro-4-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-[(2-fluoro-4-pyridinyl)sulfanyl]-4-methyl-1,3-oxazole is sourced from PubChem (CID 106923441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).