ethyl 2-fluoro-2-(1,3-oxazol-2-ylsulfanyl)acetate

C7H8FNO3S — CID 106920715

IUPACethyl 2-fluoro-2-(1,3-oxazol-2-ylsulfanyl)acetate
SMILESCCOC(=O)C(F)Sc1ncco1
InChIInChI=1S/C7H8FNO3S/c1-2-11-6(10)5(8)13-7-9-3-4-12-7/h3-5H,2H2,1H3
InChIKeyLMJGJPSTYCOWJS-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.63
Rot. Bonds4

About ethyl 2-fluoro-2-(1,3-oxazol-2-ylsulfanyl)acetate

ethyl 2-fluoro-2-(1,3-oxazol-2-ylsulfanyl)acetate (PubChem CID 106920715) has the molecular formula C7H8FNO3S and a molecular weight of 205.21 g/mol. Its IUPAC name is ethyl 2-fluoro-2-(1,3-oxazol-2-ylsulfanyl)acetate.

Molecular Properties

Compound Nameethyl 2-fluoro-2-(1,3-oxazol-2-ylsulfanyl)acetate
PubChem CID106920715
Molecular FormulaC7H8FNO3S
Molecular Weight205.21 g/mol
Exact Mass205.02
IUPAC Nameethyl 2-fluoro-2-(1,3-oxazol-2-ylsulfanyl)acetate
SMILESCCOC(=O)C(F)Sc1ncco1
InChIInChI=1S/C7H8FNO3S/c1-2-11-6(10)5(8)13-7-9-3-4-12-7/h3-5H,2H2,1H3
InChIKeyLMJGJPSTYCOWJS-UHFFFAOYSA-N
XLogP1.63
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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-Butylsulfanyl-5-deuterio-1,3-oxazole
CID 134857604
n-Butanesulfonyloxazole
CID 155801702
2,2-Difluoro-2-(1,3-oxazol-2-ylsulfanyl)acetic acid
CID 106920746
2-Fluoro-2-(1,3-oxazol-2-ylsulfanyl)acetic acid
CID 106920780
3,3,3-Trifluoro-2-(1,3-oxazol-2-ylsulfanylmethyl)propanoic acid
CID 106920781
3,3,3-Trifluoro-2-(1,3-oxazol-2-ylsulfanyl)propan-1-amine
CID 106921809
1,1,1-Trifluoro-3-(1,3-oxazol-2-ylsulfanyl)propan-2-ol
CID 106923593
Trifluoro-[3-(1,3-oxazol-2-ylsulfanyl)prop-1-en-2-yl]boranuide
CID 106924364

Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-2-(1,3-oxazol-2-ylsulfanyl)acetate?
The IUPAC name of ethyl 2-fluoro-2-(1,3-oxazol-2-ylsulfanyl)acetate (CID 106920715) is ethyl 2-fluoro-2-(1,3-oxazol-2-ylsulfanyl)acetate.
What is the SMILES notation for ethyl 2-fluoro-2-(1,3-oxazol-2-ylsulfanyl)acetate?
The canonical SMILES for ethyl 2-fluoro-2-(1,3-oxazol-2-ylsulfanyl)acetate is CCOC(=O)C(F)Sc1ncco1.
What is the InChIKey of ethyl 2-fluoro-2-(1,3-oxazol-2-ylsulfanyl)acetate?
The InChIKey is LMJGJPSTYCOWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNO3S/c1-2-11-6(10)5(8)13-7-9-3-4-12-7/h3-5H,2H2,1H3.
What are the key properties of ethyl 2-fluoro-2-(1,3-oxazol-2-ylsulfanyl)acetate?
ethyl 2-fluoro-2-(1,3-oxazol-2-ylsulfanyl)acetate has a molecular weight of 205.21 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-2-(1,3-oxazol-2-ylsulfanyl)acetate is sourced from PubChem (CID 106920715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).