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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Related Compounds

ethyl 5-(3-ethylpyrazin-2-yl)-1,2-oxazole-3-carboxylate
CID 154791696
ethyl 5-(4-chlorophenyl)-1,2-oxazole-3-carboxylate
CID 13035537
ethyl 5-(2,6-dichloro-3-fluorophenyl)-1,2-oxazole-3-carboxylate
CID 154791538
ethyl 5-[3-[(3-fluorophenyl)methoxy]phenyl]-1,2-oxazole-3-carboxylate
CID 44819362
5-(3,5-difluoro-2-pyridinyl)-1,2-oxazole-3-carboxylic acid
CID 171620971
ethyl 5-[3-[(2,3,6-trifluorophenyl)methoxy]phenyl]-1,2-oxazole-3-carboxylate
CID 44819890
[5-(4-bromo-2,6-difluorophenyl)-1,2-oxazol-3-yl]methanol;ethyl 5-(4-bromo-2,6-difluorophenyl)-1,2-oxazole-3-carboxylate
CID 163744164
ethyl 5-(3-methoxyphenyl)-1,2-oxazole-3-carboxylate
CID 53439047
ethyl 5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxylate
CID 154791670
ethyl 5-(3-chloro-4-pyridinyl)-1,2-oxazole-3-carboxylate
CID 146220672
ethyl 5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxylate
CID 23005595
methyl 5-(4-ethoxycarbonylphenyl)-1,2-oxazole-3-carboxylate
CID 86222844

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).