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

C19H15FN2O5 — CID 86647286

IUPACethyl 5-[[3-(4-fluorophenyl)-5-formyl-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylate
SMILESCCOC(=O)c1ccc(OCc2c(-c3ccc(F)cc3)noc2C=O)cn1
InChIInChI=1S/C19H15FN2O5/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/h3-10H,2,11H2,1H3
InChIKeyMVADKVJRPXVETL-UHFFFAOYSA-N
MW370.34 g/mol
LogP3.44
Rot. Bonds7

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

ethyl 5-[[3-(4-fluorophenyl)-5-formyl-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylate (PubChem CID 86647286) has the molecular formula C19H15FN2O5 and a molecular weight of 370.34 g/mol. Its IUPAC name is ethyl 5-[[3-(4-fluorophenyl)-5-formyl-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[3-(4-fluorophenyl)-5-formyl-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylate
PubChem CID86647286
Molecular FormulaC19H15FN2O5
Molecular Weight370.34 g/mol
Exact Mass370.10
IUPAC Nameethyl 5-[[3-(4-fluorophenyl)-5-formyl-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylate
SMILESCCOC(=O)c1ccc(OCc2c(-c3ccc(F)cc3)noc2C=O)cn1
InChIInChI=1S/C19H15FN2O5/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/h3-10H,2,11H2,1H3
InChIKeyMVADKVJRPXVETL-UHFFFAOYSA-N
XLogP3.44
TPSA91.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.34
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[3-(4-fluorophenyl)-5-formyl-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylate?
The IUPAC name of ethyl 5-[[3-(4-fluorophenyl)-5-formyl-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylate (CID 86647286) is ethyl 5-[[3-(4-fluorophenyl)-5-formyl-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 5-[[3-(4-fluorophenyl)-5-formyl-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylate?
The canonical SMILES for ethyl 5-[[3-(4-fluorophenyl)-5-formyl-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylate is CCOC(=O)c1ccc(OCc2c(-c3ccc(F)cc3)noc2C=O)cn1.
What is the InChIKey of ethyl 5-[[3-(4-fluorophenyl)-5-formyl-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylate?
The InChIKey is MVADKVJRPXVETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O5/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/h3-10H,2,11H2,1H3.
What are the key properties of ethyl 5-[[3-(4-fluorophenyl)-5-formyl-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylate?
ethyl 5-[[3-(4-fluorophenyl)-5-formyl-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylate has a molecular weight of 370.34 g/mol, XLogP of 3.44, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[3-(4-fluorophenyl)-5-formyl-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylate is sourced from PubChem (CID 86647286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).