ethyl 2-fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]acetate

C8H10FNO3S — CID 106920819

IUPACethyl 2-fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]acetate
SMILESCCOC(=O)C(F)Sc1nc(C)co1
InChIInChI=1S/C8H10FNO3S/c1-3-12-7(11)6(9)14-8-10-5(2)4-13-8/h4,6H,3H2,1-2H3
InChIKeyMZQGXXMCCYHLGK-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.93
Rot. Bonds4

About ethyl 2-fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]acetate

ethyl 2-fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]acetate (PubChem CID 106920819) has the molecular formula C8H10FNO3S and a molecular weight of 219.24 g/mol. Its IUPAC name is ethyl 2-fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]acetate.

Molecular Properties

Compound Nameethyl 2-fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]acetate
PubChem CID106920819
Molecular FormulaC8H10FNO3S
Molecular Weight219.24 g/mol
Exact Mass219.04
IUPAC Nameethyl 2-fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]acetate
SMILESCCOC(=O)C(F)Sc1nc(C)co1
InChIInChI=1S/C8H10FNO3S/c1-3-12-7(11)6(9)14-8-10-5(2)4-13-8/h4,6H,3H2,1-2H3
InChIKeyMZQGXXMCCYHLGK-UHFFFAOYSA-N
XLogP1.93
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-Methyl-2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-oxazole
CID 12993962
4-Methylthiomethyl-2-(3,4,4-trifluoro-3-butenylthio)oxazole
CID 12993973
4-Acetoxymethyl-2-(3,4,4-trifluoro-3-butenylthio)oxazole
CID 12993974
2-(4,4-Difluorobut-3-enylsulfanyl)-4-(trifluoromethyl)-1,3-oxazole
CID 21850560
2-(4,4-Difluorobut-3-enylsulfanyl)-4-methyl-1,3-oxazole
CID 21850590
4-Methyl-2-(trifluoromethylsulfanyl)-1,3-oxazole
CID 144946107
4-Methyl-2-(propargylthio)oxazole
CID 86212855
2,2-Difluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]acetic acid
CID 106920845
2-Fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]acetic acid
CID 106920868
3,3,3-Trifluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]propanoic acid
CID 106920869
2-(2-Bromo-3,3,3-trifluoropropyl)sulfanyl-4-methyl-1,3-oxazole
CID 106921003
3,3,3-Trifluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-1-amine
CID 106922014

Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]acetate?
The IUPAC name of ethyl 2-fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]acetate (CID 106920819) is ethyl 2-fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]acetate.
What is the SMILES notation for ethyl 2-fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]acetate?
The canonical SMILES for ethyl 2-fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]acetate is CCOC(=O)C(F)Sc1nc(C)co1.
What is the InChIKey of ethyl 2-fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]acetate?
The InChIKey is MZQGXXMCCYHLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO3S/c1-3-12-7(11)6(9)14-8-10-5(2)4-13-8/h4,6H,3H2,1-2H3.
What are the key properties of ethyl 2-fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]acetate?
ethyl 2-fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]acetate has a molecular weight of 219.24 g/mol, XLogP of 1.93, 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-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]acetate is sourced from PubChem (CID 106920819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).