ethyl 2-fluoro-1,3-oxazole-4-carboxylate

C6H6FNO3 — CID 53399535

IUPACethyl 2-fluoro-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(F)n1
InChIInChI=1S/C6H6FNO3/c1-2-10-5(9)4-3-11-6(7)8-4/h3H,2H2,1H3
InChIKeySMFBBQOOWDPUQN-UHFFFAOYSA-N
MW159.12 g/mol
LogP0.99
Rot. Bonds2

About ethyl 2-fluoro-1,3-oxazole-4-carboxylate

ethyl 2-fluoro-1,3-oxazole-4-carboxylate (PubChem CID 53399535) has the molecular formula C6H6FNO3 and a molecular weight of 159.12 g/mol. Its IUPAC name is ethyl 2-fluoro-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-fluoro-1,3-oxazole-4-carboxylate
PubChem CID53399535
Molecular FormulaC6H6FNO3
Molecular Weight159.12 g/mol
Exact Mass159.03
IUPAC Nameethyl 2-fluoro-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(F)n1
InChIInChI=1S/C6H6FNO3/c1-2-10-5(9)4-3-11-6(7)8-4/h3H,2H2,1H3
InChIKeySMFBBQOOWDPUQN-UHFFFAOYSA-N
XLogP0.99
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.12
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-fluoro-1,3-oxazole-4-carboxylate (CID 53399535) is ethyl 2-fluoro-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-fluoro-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-fluoro-1,3-oxazole-4-carboxylate is CCOC(=O)c1coc(F)n1.
What is the InChIKey of ethyl 2-fluoro-1,3-oxazole-4-carboxylate?
The InChIKey is SMFBBQOOWDPUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FNO3/c1-2-10-5(9)4-3-11-6(7)8-4/h3H,2H2,1H3.
What are the key properties of ethyl 2-fluoro-1,3-oxazole-4-carboxylate?
ethyl 2-fluoro-1,3-oxazole-4-carboxylate has a molecular weight of 159.12 g/mol, XLogP of 0.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 53399535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).