3,5-difluoro-4-(1,3-oxazol-2-ylsulfanyl)benzoic acid

C10H5F2NO3S — CID 106921063

IUPAC3,5-difluoro-4-(1,3-oxazol-2-ylsulfanyl)benzoic acid
SMILESO=C(O)c1cc(F)c(Sc2ncco2)c(F)c1
InChIInChI=1S/C10H5F2NO3S/c11-6-3-5(9(14)15)4-7(12)8(6)17-10-13-1-2-16-10/h1-4H,(H,14,15)
InChIKeyKIQCZUWQROAZJG-UHFFFAOYSA-N
MW257.22 g/mol
LogP2.80
Rot. Bonds3

About 3,5-difluoro-4-(1,3-oxazol-2-ylsulfanyl)benzoic acid

3,5-difluoro-4-(1,3-oxazol-2-ylsulfanyl)benzoic acid (PubChem CID 106921063) has the molecular formula C10H5F2NO3S and a molecular weight of 257.22 g/mol. Its IUPAC name is 3,5-difluoro-4-(1,3-oxazol-2-ylsulfanyl)benzoic acid.

Molecular Properties

Compound Name3,5-difluoro-4-(1,3-oxazol-2-ylsulfanyl)benzoic acid
PubChem CID106921063
Molecular FormulaC10H5F2NO3S
Molecular Weight257.22 g/mol
Exact Mass257.00
IUPAC Name3,5-difluoro-4-(1,3-oxazol-2-ylsulfanyl)benzoic acid
SMILESO=C(O)c1cc(F)c(Sc2ncco2)c(F)c1
InChIInChI=1S/C10H5F2NO3S/c11-6-3-5(9(14)15)4-7(12)8(6)17-10-13-1-2-16-10/h1-4H,(H,14,15)
InChIKeyKIQCZUWQROAZJG-UHFFFAOYSA-N
XLogP2.80
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-(1,3-oxazol-2-ylsulfanyl)benzoic acid?
The IUPAC name of 3,5-difluoro-4-(1,3-oxazol-2-ylsulfanyl)benzoic acid (CID 106921063) is 3,5-difluoro-4-(1,3-oxazol-2-ylsulfanyl)benzoic acid.
What is the SMILES notation for 3,5-difluoro-4-(1,3-oxazol-2-ylsulfanyl)benzoic acid?
The canonical SMILES for 3,5-difluoro-4-(1,3-oxazol-2-ylsulfanyl)benzoic acid is O=C(O)c1cc(F)c(Sc2ncco2)c(F)c1.
What is the InChIKey of 3,5-difluoro-4-(1,3-oxazol-2-ylsulfanyl)benzoic acid?
The InChIKey is KIQCZUWQROAZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F2NO3S/c11-6-3-5(9(14)15)4-7(12)8(6)17-10-13-1-2-16-10/h1-4H,(H,14,15).
What are the key properties of 3,5-difluoro-4-(1,3-oxazol-2-ylsulfanyl)benzoic acid?
3,5-difluoro-4-(1,3-oxazol-2-ylsulfanyl)benzoic acid has a molecular weight of 257.22 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-(1,3-oxazol-2-ylsulfanyl)benzoic acid is sourced from PubChem (CID 106921063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).