5-[(4-fluorophenyl)sulfinylmethyl]-1,2-oxazole

C10H8FNO2S — CID 63792979

IUPAC5-[(4-fluorophenyl)sulfinylmethyl]-1,2-oxazole
SMILESO=S(Cc1ccno1)c1ccc(F)cc1
InChIInChI=1S/C10H8FNO2S/c11-8-1-3-10(4-2-8)15(13)7-9-5-6-12-14-9/h1-6H,7H2
InChIKeyMGRJCXHAOOKQLE-UHFFFAOYSA-N
MW225.24 g/mol
LogP2.12
Rot. Bonds3

About 5-[(4-fluorophenyl)sulfinylmethyl]-1,2-oxazole

5-[(4-fluorophenyl)sulfinylmethyl]-1,2-oxazole (PubChem CID 63792979) has the molecular formula C10H8FNO2S and a molecular weight of 225.24 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)sulfinylmethyl]-1,2-oxazole.

Molecular Properties

Compound Name5-[(4-fluorophenyl)sulfinylmethyl]-1,2-oxazole
PubChem CID63792979
Molecular FormulaC10H8FNO2S
Molecular Weight225.24 g/mol
Exact Mass225.03
IUPAC Name5-[(4-fluorophenyl)sulfinylmethyl]-1,2-oxazole
SMILESO=S(Cc1ccno1)c1ccc(F)cc1
InChIInChI=1S/C10H8FNO2S/c11-8-1-3-10(4-2-8)15(13)7-9-5-6-12-14-9/h1-6H,7H2
InChIKeyMGRJCXHAOOKQLE-UHFFFAOYSA-N
XLogP2.12
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)sulfinylmethyl]-1,2-oxazole?
The IUPAC name of 5-[(4-fluorophenyl)sulfinylmethyl]-1,2-oxazole (CID 63792979) is 5-[(4-fluorophenyl)sulfinylmethyl]-1,2-oxazole.
What is the SMILES notation for 5-[(4-fluorophenyl)sulfinylmethyl]-1,2-oxazole?
The canonical SMILES for 5-[(4-fluorophenyl)sulfinylmethyl]-1,2-oxazole is O=S(Cc1ccno1)c1ccc(F)cc1.
What is the InChIKey of 5-[(4-fluorophenyl)sulfinylmethyl]-1,2-oxazole?
The InChIKey is MGRJCXHAOOKQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO2S/c11-8-1-3-10(4-2-8)15(13)7-9-5-6-12-14-9/h1-6H,7H2.
What are the key properties of 5-[(4-fluorophenyl)sulfinylmethyl]-1,2-oxazole?
5-[(4-fluorophenyl)sulfinylmethyl]-1,2-oxazole has a molecular weight of 225.24 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)sulfinylmethyl]-1,2-oxazole is sourced from PubChem (CID 63792979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).