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

C5H4FNO3S — CID 106920780

IUPAC2-fluoro-2-(1,3-oxazol-2-ylsulfanyl)acetic acid
SMILESO=C(O)C(F)Sc1ncco1
InChIInChI=1S/C5H4FNO3S/c6-3(4(8)9)11-5-7-1-2-10-5/h1-3H,(H,8,9)
InChIKeyOXVXIIVDQQVAMW-UHFFFAOYSA-N
MW177.16 g/mol
LogP1.15
Rot. Bonds3

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

2-fluoro-2-(1,3-oxazol-2-ylsulfanyl)acetic acid (PubChem CID 106920780) has the molecular formula C5H4FNO3S and a molecular weight of 177.16 g/mol. Its IUPAC name is 2-fluoro-2-(1,3-oxazol-2-ylsulfanyl)acetic acid.

Molecular Properties

Compound Name2-fluoro-2-(1,3-oxazol-2-ylsulfanyl)acetic acid
PubChem CID106920780
Molecular FormulaC5H4FNO3S
Molecular Weight177.16 g/mol
Exact Mass176.99
IUPAC Name2-fluoro-2-(1,3-oxazol-2-ylsulfanyl)acetic acid
SMILESO=C(O)C(F)Sc1ncco1
InChIInChI=1S/C5H4FNO3S/c6-3(4(8)9)11-5-7-1-2-10-5/h1-3H,(H,8,9)
InChIKeyOXVXIIVDQQVAMW-UHFFFAOYSA-N
XLogP1.15
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Oxazole, 2-(methylthio)-
CID 10931412
2-Butylsulfanyl-1,3-oxazole
CID 11171120
2-(3,4,4-Trifluoro-3-butenylthio)oxazole
CID 12993958
2-(4,4-Difluorobut-3-enylsulfanyl)-1,3-oxazole
CID 21850358
2-(4,4,4-Trifluorobut-1-enylsulfanyl)-1,3-oxazole
CID 66953876
1,3-Oxazole;2,2,2-trifluoroacetic acid
CID 118574962
2-Butylsulfanyl-5-deuterio-1,3-oxazole
CID 134857604
Ethyl 2-fluoro-2-(1,3-oxazol-2-ylsulfanyl)acetate
CID 106920715
2,2-Difluoro-2-(1,3-oxazol-2-ylsulfanyl)acetic acid
CID 106920746
3,3,3-Trifluoro-2-(1,3-oxazol-2-ylsulfanylmethyl)propanoic acid
CID 106920781
2-(2-Bromo-3,3,3-trifluoropropyl)sulfanyl-1,3-oxazole
CID 106920968
3,3,3-Trifluoro-2-(1,3-oxazol-2-ylsulfanyl)propan-1-amine
CID 106921809

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(1,3-oxazol-2-ylsulfanyl)acetic acid?
The IUPAC name of 2-fluoro-2-(1,3-oxazol-2-ylsulfanyl)acetic acid (CID 106920780) is 2-fluoro-2-(1,3-oxazol-2-ylsulfanyl)acetic acid.
What is the SMILES notation for 2-fluoro-2-(1,3-oxazol-2-ylsulfanyl)acetic acid?
The canonical SMILES for 2-fluoro-2-(1,3-oxazol-2-ylsulfanyl)acetic acid is O=C(O)C(F)Sc1ncco1.
What is the InChIKey of 2-fluoro-2-(1,3-oxazol-2-ylsulfanyl)acetic acid?
The InChIKey is OXVXIIVDQQVAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4FNO3S/c6-3(4(8)9)11-5-7-1-2-10-5/h1-3H,(H,8,9).
What are the key properties of 2-fluoro-2-(1,3-oxazol-2-ylsulfanyl)acetic acid?
2-fluoro-2-(1,3-oxazol-2-ylsulfanyl)acetic acid has a molecular weight of 177.16 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(1,3-oxazol-2-ylsulfanyl)acetic acid is sourced from PubChem (CID 106920780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).