2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-1,3-oxazole

C8H4ClFN2OS — CID 106924199

IUPAC2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-1,3-oxazole
SMILESFc1cc(Cl)cnc1Sc1ncco1
InChIInChI=1S/C8H4ClFN2OS/c9-5-3-6(10)7(12-4-5)14-8-11-1-2-13-8/h1-4H
InChIKeyNLZCYYOFHLZBNZ-UHFFFAOYSA-N
MW230.65 g/mol
LogP3.01
Rot. Bonds2

About 2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-1,3-oxazole

2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-1,3-oxazole (PubChem CID 106924199) has the molecular formula C8H4ClFN2OS and a molecular weight of 230.65 g/mol. Its IUPAC name is 2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-1,3-oxazole
PubChem CID106924199
Molecular FormulaC8H4ClFN2OS
Molecular Weight230.65 g/mol
Exact Mass229.97
IUPAC Name2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-1,3-oxazole
SMILESFc1cc(Cl)cnc1Sc1ncco1
InChIInChI=1S/C8H4ClFN2OS/c9-5-3-6(10)7(12-4-5)14-8-11-1-2-13-8/h1-4H
InChIKeyNLZCYYOFHLZBNZ-UHFFFAOYSA-N
XLogP3.01
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.65
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-1,3-oxazole?
The IUPAC name of 2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-1,3-oxazole (CID 106924199) is 2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-1,3-oxazole.
What is the SMILES notation for 2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-1,3-oxazole?
The canonical SMILES for 2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-1,3-oxazole is Fc1cc(Cl)cnc1Sc1ncco1.
What is the InChIKey of 2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-1,3-oxazole?
The InChIKey is NLZCYYOFHLZBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClFN2OS/c9-5-3-6(10)7(12-4-5)14-8-11-1-2-13-8/h1-4H.
What are the key properties of 2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-1,3-oxazole?
2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-1,3-oxazole has a molecular weight of 230.65 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-1,3-oxazole is sourced from PubChem (CID 106924199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).