ethyl 5-[3-fluoro-5-(methoxymethyl)-2-pyridinyl]-1,2-oxazole-3-carboxylate

C13H13FN2O4 — CID 146229751

IUPACethyl 5-[3-fluoro-5-(methoxymethyl)-2-pyridinyl]-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ncc(COC)cc2F)on1
InChIInChI=1S/C13H13FN2O4/c1-3-19-13(17)10-5-11(20-16-10)12-9(14)4-8(6-15-12)7-18-2/h4-6H,3,7H2,1-2H3
InChIKeyCAZOVRDCTYLLIV-UHFFFAOYSA-N
MW280.25 g/mol
LogP2.20
Rot. Bonds5

About ethyl 5-[3-fluoro-5-(methoxymethyl)-2-pyridinyl]-1,2-oxazole-3-carboxylate

ethyl 5-[3-fluoro-5-(methoxymethyl)-2-pyridinyl]-1,2-oxazole-3-carboxylate (PubChem CID 146229751) has the molecular formula C13H13FN2O4 and a molecular weight of 280.25 g/mol. Its IUPAC name is ethyl 5-[3-fluoro-5-(methoxymethyl)-2-pyridinyl]-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[3-fluoro-5-(methoxymethyl)-2-pyridinyl]-1,2-oxazole-3-carboxylate
PubChem CID146229751
Molecular FormulaC13H13FN2O4
Molecular Weight280.25 g/mol
Exact Mass280.09
IUPAC Nameethyl 5-[3-fluoro-5-(methoxymethyl)-2-pyridinyl]-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ncc(COC)cc2F)on1
InChIInChI=1S/C13H13FN2O4/c1-3-19-13(17)10-5-11(20-16-10)12-9(14)4-8(6-15-12)7-18-2/h4-6H,3,7H2,1-2H3
InChIKeyCAZOVRDCTYLLIV-UHFFFAOYSA-N
XLogP2.20
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[3-fluoro-5-(methoxymethyl)-2-pyridinyl]-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl 5-[3-fluoro-5-(methoxymethyl)-2-pyridinyl]-1,2-oxazole-3-carboxylate (CID 146229751) is ethyl 5-[3-fluoro-5-(methoxymethyl)-2-pyridinyl]-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 5-[3-fluoro-5-(methoxymethyl)-2-pyridinyl]-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl 5-[3-fluoro-5-(methoxymethyl)-2-pyridinyl]-1,2-oxazole-3-carboxylate is CCOC(=O)c1cc(-c2ncc(COC)cc2F)on1.
What is the InChIKey of ethyl 5-[3-fluoro-5-(methoxymethyl)-2-pyridinyl]-1,2-oxazole-3-carboxylate?
The InChIKey is CAZOVRDCTYLLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O4/c1-3-19-13(17)10-5-11(20-16-10)12-9(14)4-8(6-15-12)7-18-2/h4-6H,3,7H2,1-2H3.
What are the key properties of ethyl 5-[3-fluoro-5-(methoxymethyl)-2-pyridinyl]-1,2-oxazole-3-carboxylate?
ethyl 5-[3-fluoro-5-(methoxymethyl)-2-pyridinyl]-1,2-oxazole-3-carboxylate has a molecular weight of 280.25 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[3-fluoro-5-(methoxymethyl)-2-pyridinyl]-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 146229751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).