1,2-oxazol-3-ylmethanesulfonyl fluoride

C4H4FNO3S — CID 122236036

IUPAC1,2-oxazol-3-ylmethanesulfonyl fluoride
SMILESO=S(=O)(F)Cc1ccon1
InChIInChI=1S/C4H4FNO3S/c5-10(7,8)3-4-1-2-9-6-4/h1-2H,3H2
InChIKeyPZVXIWOPYZWNQL-UHFFFAOYSA-N
MW165.15 g/mol
LogP0.47
Rot. Bonds2

About 1,2-oxazol-3-ylmethanesulfonyl fluoride

1,2-oxazol-3-ylmethanesulfonyl fluoride (PubChem CID 122236036) has the molecular formula C4H4FNO3S and a molecular weight of 165.15 g/mol. Its IUPAC name is 1,2-oxazol-3-ylmethanesulfonyl fluoride.

Molecular Properties

Compound Name1,2-oxazol-3-ylmethanesulfonyl fluoride
PubChem CID122236036
Molecular FormulaC4H4FNO3S
Molecular Weight165.15 g/mol
Exact Mass164.99
IUPAC Name1,2-oxazol-3-ylmethanesulfonyl fluoride
SMILESO=S(=O)(F)Cc1ccon1
InChIInChI=1S/C4H4FNO3S/c5-10(7,8)3-4-1-2-9-6-4/h1-2H,3H2
InChIKeyPZVXIWOPYZWNQL-UHFFFAOYSA-N
XLogP0.47
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.15
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2-oxazol-3-ylmethanesulfonyl fluoride?
The IUPAC name of 1,2-oxazol-3-ylmethanesulfonyl fluoride (CID 122236036) is 1,2-oxazol-3-ylmethanesulfonyl fluoride.
What is the SMILES notation for 1,2-oxazol-3-ylmethanesulfonyl fluoride?
The canonical SMILES for 1,2-oxazol-3-ylmethanesulfonyl fluoride is O=S(=O)(F)Cc1ccon1.
What is the InChIKey of 1,2-oxazol-3-ylmethanesulfonyl fluoride?
The InChIKey is PZVXIWOPYZWNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4FNO3S/c5-10(7,8)3-4-1-2-9-6-4/h1-2H,3H2.
What are the key properties of 1,2-oxazol-3-ylmethanesulfonyl fluoride?
1,2-oxazol-3-ylmethanesulfonyl fluoride has a molecular weight of 165.15 g/mol, XLogP of 0.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-oxazol-3-ylmethanesulfonyl fluoride is sourced from PubChem (CID 122236036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).