ethyl 5-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylate

C19H17FN2O5 — CID 66644515

IUPACethyl 5-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylate
SMILESCCOC(=O)c1ccc(OCc2c(-c3ccc(F)cc3)noc2CO)cn1
InChIInChI=1S/C19H17FN2O5/c1-2-25-19(24)16-8-7-14(9-21-16)26-11-15-17(10-23)27-22-18(15)12-3-5-13(20)6-4-12/h3-9,23H,2,10-11H2,1H3
InChIKeyIQXNBKPTDAZBQB-UHFFFAOYSA-N
MW372.35 g/mol
LogP3.12
Rot. Bonds7

About ethyl 5-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylate

ethyl 5-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylate (PubChem CID 66644515) has the molecular formula C19H17FN2O5 and a molecular weight of 372.35 g/mol. Its IUPAC name is ethyl 5-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylate
PubChem CID66644515
Molecular FormulaC19H17FN2O5
Molecular Weight372.35 g/mol
Exact Mass372.11
IUPAC Nameethyl 5-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylate
SMILESCCOC(=O)c1ccc(OCc2c(-c3ccc(F)cc3)noc2CO)cn1
InChIInChI=1S/C19H17FN2O5/c1-2-25-19(24)16-8-7-14(9-21-16)26-11-15-17(10-23)27-22-18(15)12-3-5-13(20)6-4-12/h3-9,23H,2,10-11H2,1H3
InChIKeyIQXNBKPTDAZBQB-UHFFFAOYSA-N
XLogP3.12
TPSA94.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylate?
The IUPAC name of ethyl 5-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylate (CID 66644515) is ethyl 5-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 5-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylate?
The canonical SMILES for ethyl 5-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylate is CCOC(=O)c1ccc(OCc2c(-c3ccc(F)cc3)noc2CO)cn1.
What is the InChIKey of ethyl 5-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylate?
The InChIKey is IQXNBKPTDAZBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O5/c1-2-25-19(24)16-8-7-14(9-21-16)26-11-15-17(10-23)27-22-18(15)12-3-5-13(20)6-4-12/h3-9,23H,2,10-11H2,1H3.
What are the key properties of ethyl 5-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylate?
ethyl 5-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylate has a molecular weight of 372.35 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylate is sourced from PubChem (CID 66644515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).