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

C8H5FN2OS — CID 106923362

IUPAC2-[(2-fluoro-4-pyridinyl)sulfanyl]-1,3-oxazole
SMILESFc1cc(Sc2ncco2)ccn1
InChIInChI=1S/C8H5FN2OS/c9-7-5-6(1-2-10-7)13-8-11-3-4-12-8/h1-5H
InChIKeyPUAMLWUMKWGQNY-UHFFFAOYSA-N
MW196.21 g/mol
LogP2.36
Rot. Bonds2

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

2-[(2-fluoro-4-pyridinyl)sulfanyl]-1,3-oxazole (PubChem CID 106923362) has the molecular formula C8H5FN2OS and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-[(2-fluoro-4-pyridinyl)sulfanyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[(2-fluoro-4-pyridinyl)sulfanyl]-1,3-oxazole
PubChem CID106923362
Molecular FormulaC8H5FN2OS
Molecular Weight196.21 g/mol
Exact Mass196.01
IUPAC Name2-[(2-fluoro-4-pyridinyl)sulfanyl]-1,3-oxazole
SMILESFc1cc(Sc2ncco2)ccn1
InChIInChI=1S/C8H5FN2OS/c9-7-5-6(1-2-10-7)13-8-11-3-4-12-8/h1-5H
InChIKeyPUAMLWUMKWGQNY-UHFFFAOYSA-N
XLogP2.36
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 52.36
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]-1,3-oxazole?
The IUPAC name of 2-[(2-fluoro-4-pyridinyl)sulfanyl]-1,3-oxazole (CID 106923362) is 2-[(2-fluoro-4-pyridinyl)sulfanyl]-1,3-oxazole.
What is the SMILES notation for 2-[(2-fluoro-4-pyridinyl)sulfanyl]-1,3-oxazole?
The canonical SMILES for 2-[(2-fluoro-4-pyridinyl)sulfanyl]-1,3-oxazole is Fc1cc(Sc2ncco2)ccn1.
What is the InChIKey of 2-[(2-fluoro-4-pyridinyl)sulfanyl]-1,3-oxazole?
The InChIKey is PUAMLWUMKWGQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FN2OS/c9-7-5-6(1-2-10-7)13-8-11-3-4-12-8/h1-5H.
What are the key properties of 2-[(2-fluoro-4-pyridinyl)sulfanyl]-1,3-oxazole?
2-[(2-fluoro-4-pyridinyl)sulfanyl]-1,3-oxazole has a molecular weight of 196.21 g/mol, XLogP of 2.36, 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]-1,3-oxazole is sourced from PubChem (CID 106923362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).