2-(4-fluorophenyl)sulfinyl-1,3-oxazole

C9H6FNO2S — CID 146308017

IUPAC2-(4-fluorophenyl)sulfinyl-1,3-oxazole
SMILESO=S(c1ccc(F)cc1)c1ncco1
InChIInChI=1S/C9H6FNO2S/c10-7-1-3-8(4-2-7)14(12)9-11-5-6-13-9/h1-6H
InChIKeyXXVIUILACQMUGY-UHFFFAOYSA-N
MW211.22 g/mol
LogP1.98
Rot. Bonds2

About 2-(4-fluorophenyl)sulfinyl-1,3-oxazole

2-(4-fluorophenyl)sulfinyl-1,3-oxazole (PubChem CID 146308017) has the molecular formula C9H6FNO2S and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfinyl-1,3-oxazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfinyl-1,3-oxazole
PubChem CID146308017
Molecular FormulaC9H6FNO2S
Molecular Weight211.22 g/mol
Exact Mass211.01
IUPAC Name2-(4-fluorophenyl)sulfinyl-1,3-oxazole
SMILESO=S(c1ccc(F)cc1)c1ncco1
InChIInChI=1S/C9H6FNO2S/c10-7-1-3-8(4-2-7)14(12)9-11-5-6-13-9/h1-6H
InChIKeyXXVIUILACQMUGY-UHFFFAOYSA-N
XLogP1.98
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Benzenesulfonyl)-1,3-oxazole
CID 45103360
2-Phenylsulfanyloxy-1,3-oxazole
CID 68484874
2-[(2,6-Difluoro-3-methylphenyl)methylsulfinyl]-1,3-oxazole
CID 67022440
2-[(2,6-Difluorophenyl)methylsulfanyl]-1,3-oxazole
CID 67022476
2-[(2,5-Difluorophenyl)methylsulfinyl]-1,3-oxazole
CID 67022566
2-[(2,6-Difluoro-3-methylphenyl)methylsulfonyl]-1,3-oxazole
CID 67022678
2-[(2,6-Difluorophenyl)methylsulfinyl]-1,3-oxazole
CID 67022683
2-[(2,6-Difluorophenyl)methylsulfonyl]-1,3-oxazole
CID 67022707
2-[(2,5-Difluorophenyl)methylsulfonyl]-1,3-oxazole
CID 67022731
2-[(2,5-Difluorophenyl)methylsulfanyl]-1,3-oxazole
CID 67022830
2-(4-Fluorophenyl)sulfonyl-1,3-oxazole
CID 146308019
5-Bromo-2-(phenylthio)oxazole
CID 45103170

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfinyl-1,3-oxazole?
The IUPAC name of 2-(4-fluorophenyl)sulfinyl-1,3-oxazole (CID 146308017) is 2-(4-fluorophenyl)sulfinyl-1,3-oxazole.
What is the SMILES notation for 2-(4-fluorophenyl)sulfinyl-1,3-oxazole?
The canonical SMILES for 2-(4-fluorophenyl)sulfinyl-1,3-oxazole is O=S(c1ccc(F)cc1)c1ncco1.
What is the InChIKey of 2-(4-fluorophenyl)sulfinyl-1,3-oxazole?
The InChIKey is XXVIUILACQMUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FNO2S/c10-7-1-3-8(4-2-7)14(12)9-11-5-6-13-9/h1-6H.
What are the key properties of 2-(4-fluorophenyl)sulfinyl-1,3-oxazole?
2-(4-fluorophenyl)sulfinyl-1,3-oxazole has a molecular weight of 211.22 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfinyl-1,3-oxazole is sourced from PubChem (CID 146308017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).