ethyl 6-(2-fluoro-4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate

C17H15FN2O4 — CID 2079442

IUPACethyl 6-(2-fluoro-4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(OC)cc2F)nc2onc(C)c12
InChIInChI=1S/C17H15FN2O4/c1-4-23-17(21)12-8-14(19-16-15(12)9(2)20-24-16)11-6-5-10(22-3)7-13(11)18/h5-8H,4H2,1-3H3
InChIKeyLDMQETUMDGRFJG-UHFFFAOYSA-N
MW330.32 g/mol
LogP3.52
Rot. Bonds4

About ethyl 6-(2-fluoro-4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate

ethyl 6-(2-fluoro-4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 2079442) has the molecular formula C17H15FN2O4 and a molecular weight of 330.32 g/mol. Its IUPAC name is ethyl 6-(2-fluoro-4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 6-(2-fluoro-4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
PubChem CID2079442
Molecular FormulaC17H15FN2O4
Molecular Weight330.32 g/mol
Exact Mass330.10
IUPAC Nameethyl 6-(2-fluoro-4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(OC)cc2F)nc2onc(C)c12
InChIInChI=1S/C17H15FN2O4/c1-4-23-17(21)12-8-14(19-16-15(12)9(2)20-24-16)11-6-5-10(22-3)7-13(11)18/h5-8H,4H2,1-3H3
InChIKeyLDMQETUMDGRFJG-UHFFFAOYSA-N
XLogP3.52
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.32
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-(2-fluoro-4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?
The IUPAC name of ethyl 6-(2-fluoro-4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate (CID 2079442) is ethyl 6-(2-fluoro-4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate.
What is the SMILES notation for ethyl 6-(2-fluoro-4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?
The canonical SMILES for ethyl 6-(2-fluoro-4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate is CCOC(=O)c1cc(-c2ccc(OC)cc2F)nc2onc(C)c12.
What is the InChIKey of ethyl 6-(2-fluoro-4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?
The InChIKey is LDMQETUMDGRFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O4/c1-4-23-17(21)12-8-14(19-16-15(12)9(2)20-24-16)11-6-5-10(22-3)7-13(11)18/h5-8H,4H2,1-3H3.
What are the key properties of ethyl 6-(2-fluoro-4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?
ethyl 6-(2-fluoro-4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 330.32 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(2-fluoro-4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 2079442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).