methyl 2-fluorosulfonyl-1,3-oxazole-4-carboxylate

C5H4FNO5S — CID 167728397

IUPACmethyl 2-fluorosulfonyl-1,3-oxazole-4-carboxylate
SMILESCOC(=O)c1coc(S(=O)(=O)F)n1
InChIInChI=1S/C5H4FNO5S/c1-11-4(8)3-2-12-5(7-3)13(6,9)10/h2H,1H3
InChIKeyJOIHOQZAGIQJDD-UHFFFAOYSA-N
MW209.15 g/mol
LogP0.12
Rot. Bonds2

About methyl 2-fluorosulfonyl-1,3-oxazole-4-carboxylate

methyl 2-fluorosulfonyl-1,3-oxazole-4-carboxylate (PubChem CID 167728397) has the molecular formula C5H4FNO5S and a molecular weight of 209.15 g/mol. Its IUPAC name is methyl 2-fluorosulfonyl-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-fluorosulfonyl-1,3-oxazole-4-carboxylate
PubChem CID167728397
Molecular FormulaC5H4FNO5S
Molecular Weight209.15 g/mol
Exact Mass208.98
IUPAC Namemethyl 2-fluorosulfonyl-1,3-oxazole-4-carboxylate
SMILESCOC(=O)c1coc(S(=O)(=O)F)n1
InChIInChI=1S/C5H4FNO5S/c1-11-4(8)3-2-12-5(7-3)13(6,9)10/h2H,1H3
InChIKeyJOIHOQZAGIQJDD-UHFFFAOYSA-N
XLogP0.12
TPSA86.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.15
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-fluorosulfonyl-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl 2-fluorosulfonyl-1,3-oxazole-4-carboxylate (CID 167728397) is methyl 2-fluorosulfonyl-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl 2-fluorosulfonyl-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl 2-fluorosulfonyl-1,3-oxazole-4-carboxylate is COC(=O)c1coc(S(=O)(=O)F)n1.
What is the InChIKey of methyl 2-fluorosulfonyl-1,3-oxazole-4-carboxylate?
The InChIKey is JOIHOQZAGIQJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4FNO5S/c1-11-4(8)3-2-12-5(7-3)13(6,9)10/h2H,1H3.
What are the key properties of methyl 2-fluorosulfonyl-1,3-oxazole-4-carboxylate?
methyl 2-fluorosulfonyl-1,3-oxazole-4-carboxylate has a molecular weight of 209.15 g/mol, XLogP of 0.12, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-fluorosulfonyl-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 167728397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).