5-fluoro-2-(1,3-oxazol-2-ylsulfanylmethyl)benzoic acid

C11H8FNO3S — CID 106926129

IUPAC5-fluoro-2-(1,3-oxazol-2-ylsulfanylmethyl)benzoic acid
SMILESO=C(O)c1cc(F)ccc1CSc1ncco1
InChIInChI=1S/C11H8FNO3S/c12-8-2-1-7(9(5-8)10(14)15)6-17-11-13-3-4-16-11/h1-5H,6H2,(H,14,15)
InChIKeyIPDYDHHYVNOPRB-UHFFFAOYSA-N
MW253.25 g/mol
LogP2.80
Rot. Bonds4

About 5-fluoro-2-(1,3-oxazol-2-ylsulfanylmethyl)benzoic acid

5-fluoro-2-(1,3-oxazol-2-ylsulfanylmethyl)benzoic acid (PubChem CID 106926129) has the molecular formula C11H8FNO3S and a molecular weight of 253.25 g/mol. Its IUPAC name is 5-fluoro-2-(1,3-oxazol-2-ylsulfanylmethyl)benzoic acid.

Molecular Properties

Compound Name5-fluoro-2-(1,3-oxazol-2-ylsulfanylmethyl)benzoic acid
PubChem CID106926129
Molecular FormulaC11H8FNO3S
Molecular Weight253.25 g/mol
Exact Mass253.02
IUPAC Name5-fluoro-2-(1,3-oxazol-2-ylsulfanylmethyl)benzoic acid
SMILESO=C(O)c1cc(F)ccc1CSc1ncco1
InChIInChI=1S/C11H8FNO3S/c12-8-2-1-7(9(5-8)10(14)15)6-17-11-13-3-4-16-11/h1-5H,6H2,(H,14,15)
InChIKeyIPDYDHHYVNOPRB-UHFFFAOYSA-N
XLogP2.80
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-3-(1,3-oxazol-2-ylsulfanylmethyl)benzoic acid
CID 107119917
5-fluoro-2-[(1-methylimidazol-2-yl)sulfanylmethyl]benzoic acid
CID 63293008
2-(1,3-oxazol-2-ylsulfanylmethyl)furan-3-carboxylic acid
CID 106920681
5-fluoro-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoic acid
CID 104604179
3-(1,3-oxazol-2-ylsulfanylmethyl)pyridine-2-carboxylic acid
CID 106926135
5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoic acid
CID 63293267
2-nitro-6-(1,3-oxazol-2-ylsulfanylmethyl)benzoic acid
CID 106920733
N-(2-amino-5-fluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)acetamide
CID 106921808
2-[(3-bromo-5-fluorophenyl)methylsulfanyl]-1,3-oxazole
CID 106924329
3-fluoro-5-(1,3-oxazol-2-ylsulfanylmethyl)aniline
CID 106921777
[4-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]methanol
CID 106923568
2-bromo-3-fluoro-4-(1,3-oxazol-2-ylsulfanyl)benzoic acid
CID 107540893

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(1,3-oxazol-2-ylsulfanylmethyl)benzoic acid?
The IUPAC name of 5-fluoro-2-(1,3-oxazol-2-ylsulfanylmethyl)benzoic acid (CID 106926129) is 5-fluoro-2-(1,3-oxazol-2-ylsulfanylmethyl)benzoic acid.
What is the SMILES notation for 5-fluoro-2-(1,3-oxazol-2-ylsulfanylmethyl)benzoic acid?
The canonical SMILES for 5-fluoro-2-(1,3-oxazol-2-ylsulfanylmethyl)benzoic acid is O=C(O)c1cc(F)ccc1CSc1ncco1.
What is the InChIKey of 5-fluoro-2-(1,3-oxazol-2-ylsulfanylmethyl)benzoic acid?
The InChIKey is IPDYDHHYVNOPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO3S/c12-8-2-1-7(9(5-8)10(14)15)6-17-11-13-3-4-16-11/h1-5H,6H2,(H,14,15).
What are the key properties of 5-fluoro-2-(1,3-oxazol-2-ylsulfanylmethyl)benzoic acid?
5-fluoro-2-(1,3-oxazol-2-ylsulfanylmethyl)benzoic acid has a molecular weight of 253.25 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(1,3-oxazol-2-ylsulfanylmethyl)benzoic acid is sourced from PubChem (CID 106926129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).