ethyl 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-fluoroacetate

C9H12FNO3S — CID 106920893

IUPACethyl 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-fluoroacetate
SMILESCCOC(=O)C(F)Sc1nc(C)c(C)o1
InChIInChI=1S/C9H12FNO3S/c1-4-13-8(12)7(10)15-9-11-5(2)6(3)14-9/h7H,4H2,1-3H3
InChIKeyFGABSPKHZQMOEK-UHFFFAOYSA-N
MW233.26 g/mol
LogP2.24
Rot. Bonds4

About ethyl 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-fluoroacetate

ethyl 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-fluoroacetate (PubChem CID 106920893) has the molecular formula C9H12FNO3S and a molecular weight of 233.26 g/mol. Its IUPAC name is ethyl 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-fluoroacetate.

Molecular Properties

Compound Nameethyl 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-fluoroacetate
PubChem CID106920893
Molecular FormulaC9H12FNO3S
Molecular Weight233.26 g/mol
Exact Mass233.05
IUPAC Nameethyl 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-fluoroacetate
SMILESCCOC(=O)C(F)Sc1nc(C)c(C)o1
InChIInChI=1S/C9H12FNO3S/c1-4-13-8(12)7(10)15-9-11-5(2)6(3)14-9/h7H,4H2,1-3H3
InChIKeyFGABSPKHZQMOEK-UHFFFAOYSA-N
XLogP2.24
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-fluoroacetate?
The IUPAC name of ethyl 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-fluoroacetate (CID 106920893) is ethyl 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-fluoroacetate.
What is the SMILES notation for ethyl 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-fluoroacetate?
The canonical SMILES for ethyl 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-fluoroacetate is CCOC(=O)C(F)Sc1nc(C)c(C)o1.
What is the InChIKey of ethyl 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-fluoroacetate?
The InChIKey is FGABSPKHZQMOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO3S/c1-4-13-8(12)7(10)15-9-11-5(2)6(3)14-9/h7H,4H2,1-3H3.
What are the key properties of ethyl 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-fluoroacetate?
ethyl 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-fluoroacetate has a molecular weight of 233.26 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-fluoroacetate is sourced from PubChem (CID 106920893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).