3-fluoro-2-(1,3-oxazol-2-ylsulfanyl)benzoic acid

C10H6FNO3S — CID 106921109

IUPAC3-fluoro-2-(1,3-oxazol-2-ylsulfanyl)benzoic acid
SMILESO=C(O)c1cccc(F)c1Sc1ncco1
InChIInChI=1S/C10H6FNO3S/c11-7-3-1-2-6(9(13)14)8(7)16-10-12-4-5-15-10/h1-5H,(H,13,14)
InChIKeyNFUXZAXEGZGSTL-UHFFFAOYSA-N
MW239.23 g/mol
LogP2.66
Rot. Bonds3

About 3-fluoro-2-(1,3-oxazol-2-ylsulfanyl)benzoic acid

3-fluoro-2-(1,3-oxazol-2-ylsulfanyl)benzoic acid (PubChem CID 106921109) has the molecular formula C10H6FNO3S and a molecular weight of 239.23 g/mol. Its IUPAC name is 3-fluoro-2-(1,3-oxazol-2-ylsulfanyl)benzoic acid.

Molecular Properties

Compound Name3-fluoro-2-(1,3-oxazol-2-ylsulfanyl)benzoic acid
PubChem CID106921109
Molecular FormulaC10H6FNO3S
Molecular Weight239.23 g/mol
Exact Mass239.01
IUPAC Name3-fluoro-2-(1,3-oxazol-2-ylsulfanyl)benzoic acid
SMILESO=C(O)c1cccc(F)c1Sc1ncco1
InChIInChI=1S/C10H6FNO3S/c11-7-3-1-2-6(9(13)14)8(7)16-10-12-4-5-15-10/h1-5H,(H,13,14)
InChIKeyNFUXZAXEGZGSTL-UHFFFAOYSA-N
XLogP2.66
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(1,3-oxazol-2-ylsulfanyl)benzoic acid?
The IUPAC name of 3-fluoro-2-(1,3-oxazol-2-ylsulfanyl)benzoic acid (CID 106921109) is 3-fluoro-2-(1,3-oxazol-2-ylsulfanyl)benzoic acid.
What is the SMILES notation for 3-fluoro-2-(1,3-oxazol-2-ylsulfanyl)benzoic acid?
The canonical SMILES for 3-fluoro-2-(1,3-oxazol-2-ylsulfanyl)benzoic acid is O=C(O)c1cccc(F)c1Sc1ncco1.
What is the InChIKey of 3-fluoro-2-(1,3-oxazol-2-ylsulfanyl)benzoic acid?
The InChIKey is NFUXZAXEGZGSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FNO3S/c11-7-3-1-2-6(9(13)14)8(7)16-10-12-4-5-15-10/h1-5H,(H,13,14).
What are the key properties of 3-fluoro-2-(1,3-oxazol-2-ylsulfanyl)benzoic acid?
3-fluoro-2-(1,3-oxazol-2-ylsulfanyl)benzoic acid has a molecular weight of 239.23 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(1,3-oxazol-2-ylsulfanyl)benzoic acid is sourced from PubChem (CID 106921109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).