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

C5H3F2NO3S — CID 106920746

IUPAC2,2-difluoro-2-(1,3-oxazol-2-ylsulfanyl)acetic acid
SMILESO=C(O)C(F)(F)Sc1ncco1
InChIInChI=1S/C5H3F2NO3S/c6-5(7,3(9)10)12-4-8-1-2-11-4/h1-2H,(H,9,10)
InChIKeyUOCCTUSEYYMDJW-UHFFFAOYSA-N
MW195.15 g/mol
LogP1.44
Rot. Bonds3

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

2,2-difluoro-2-(1,3-oxazol-2-ylsulfanyl)acetic acid (PubChem CID 106920746) has the molecular formula C5H3F2NO3S and a molecular weight of 195.15 g/mol. Its IUPAC name is 2,2-difluoro-2-(1,3-oxazol-2-ylsulfanyl)acetic acid.

Molecular Properties

Compound Name2,2-difluoro-2-(1,3-oxazol-2-ylsulfanyl)acetic acid
PubChem CID106920746
Molecular FormulaC5H3F2NO3S
Molecular Weight195.15 g/mol
Exact Mass194.98
IUPAC Name2,2-difluoro-2-(1,3-oxazol-2-ylsulfanyl)acetic acid
SMILESO=C(O)C(F)(F)Sc1ncco1
InChIInChI=1S/C5H3F2NO3S/c6-5(7,3(9)10)12-4-8-1-2-11-4/h1-2H,(H,9,10)
InChIKeyUOCCTUSEYYMDJW-UHFFFAOYSA-N
XLogP1.44
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.15
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,3,3-trifluoro-2-(1,3-oxazol-2-ylsulfanylmethyl)propanoic acid
CID 106920781
2-amino-2-methyl-3-(1,3-oxazol-2-ylsulfanyl)propanoic acid
CID 106924884
5-(1,3-oxazol-2-ylsulfanyl)pyridine-2-carboxylic acid
CID 106921080
2-amino-3-(1,3-oxazol-2-ylsulfanyl)propanoic acid
CID 106920713
4,4,4-trifluoro-3-hydroxy-3-(1,3-oxazol-2-yl)butanoic acid
CID 138008209
2-[(3-bromo-2-pyridinyl)sulfanyl]-2,2-difluoroacetic acid
CID 81218218
2-cyclopropyl-2-(1,3-oxazol-2-ylsulfanyl)acetic acid
CID 106920740
3-methyl-4-(1,3-oxazol-2-ylsulfanyl)benzoic acid
CID 106921121
4-(1,3-oxazol-2-ylsulfanyl)butan-2-one
CID 106923954
2-amino-2-methyl-3-(1,3-oxazol-2-ylsulfanyl)propanamide
CID 106924974
2-(1,3-oxazol-2-ylsulfanylmethyl)furan-3-carboxylic acid
CID 106920681
2,2-dimethyl-3-(1,3-oxazol-2-ylsulfanyl)propanehydrazide
CID 106926213

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(1,3-oxazol-2-ylsulfanyl)acetic acid?
The IUPAC name of 2,2-difluoro-2-(1,3-oxazol-2-ylsulfanyl)acetic acid (CID 106920746) is 2,2-difluoro-2-(1,3-oxazol-2-ylsulfanyl)acetic acid.
What is the SMILES notation for 2,2-difluoro-2-(1,3-oxazol-2-ylsulfanyl)acetic acid?
The canonical SMILES for 2,2-difluoro-2-(1,3-oxazol-2-ylsulfanyl)acetic acid is O=C(O)C(F)(F)Sc1ncco1.
What is the InChIKey of 2,2-difluoro-2-(1,3-oxazol-2-ylsulfanyl)acetic acid?
The InChIKey is UOCCTUSEYYMDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F2NO3S/c6-5(7,3(9)10)12-4-8-1-2-11-4/h1-2H,(H,9,10).
What are the key properties of 2,2-difluoro-2-(1,3-oxazol-2-ylsulfanyl)acetic acid?
2,2-difluoro-2-(1,3-oxazol-2-ylsulfanyl)acetic acid has a molecular weight of 195.15 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(1,3-oxazol-2-ylsulfanyl)acetic acid is sourced from PubChem (CID 106920746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).