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

C26H21FN2O4 — CID 66644439

IUPACethyl 5-[[3-(4-fluorophenyl)-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylate
SMILESCCOC(=O)c1ccc(OCc2c(-c3ccc(F)cc3)noc2/C=C/c2ccccc2)cn1
InChIInChI=1S/C26H21FN2O4/c1-2-31-26(30)23-14-13-21(16-28-23)32-17-22-24(15-8-18-6-4-3-5-7-18)33-29-25(22)19-9-11-20(27)12-10-19/h3-16H,2,17H2,1H3/b15-8+
InChIKeyCSMZDSTUFDPXGW-OVCLIPMQSA-N
MW444.46 g/mol
LogP5.80
Rot. Bonds8

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

ethyl 5-[[3-(4-fluorophenyl)-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylate (PubChem CID 66644439) has the molecular formula C26H21FN2O4 and a molecular weight of 444.46 g/mol. Its IUPAC name is ethyl 5-[[3-(4-fluorophenyl)-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[3-(4-fluorophenyl)-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylate
PubChem CID66644439
Molecular FormulaC26H21FN2O4
Molecular Weight444.46 g/mol
Exact Mass444.15
IUPAC Nameethyl 5-[[3-(4-fluorophenyl)-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylate
SMILESCCOC(=O)c1ccc(OCc2c(-c3ccc(F)cc3)noc2/C=C/c2ccccc2)cn1
InChIInChI=1S/C26H21FN2O4/c1-2-31-26(30)23-14-13-21(16-28-23)32-17-22-24(15-8-18-6-4-3-5-7-18)33-29-25(22)19-9-11-20(27)12-10-19/h3-16H,2,17H2,1H3/b15-8+
InChIKeyCSMZDSTUFDPXGW-OVCLIPMQSA-N
XLogP5.80
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.46
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 5-[[3-(4-fluorophenyl)-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[3-(4-fluorophenyl)-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylate?
The IUPAC name of ethyl 5-[[3-(4-fluorophenyl)-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylate (CID 66644439) is ethyl 5-[[3-(4-fluorophenyl)-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 5-[[3-(4-fluorophenyl)-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylate?
The canonical SMILES for ethyl 5-[[3-(4-fluorophenyl)-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylate is CCOC(=O)c1ccc(OCc2c(-c3ccc(F)cc3)noc2/C=C/c2ccccc2)cn1.
What is the InChIKey of ethyl 5-[[3-(4-fluorophenyl)-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylate?
The InChIKey is CSMZDSTUFDPXGW-OVCLIPMQSA-N. The full InChI is InChI=1S/C26H21FN2O4/c1-2-31-26(30)23-14-13-21(16-28-23)32-17-22-24(15-8-18-6-4-3-5-7-18)33-29-25(22)19-9-11-20(27)12-10-19/h3-16H,2,17H2,1H3/b15-8+.
What are the key properties of ethyl 5-[[3-(4-fluorophenyl)-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylate?
ethyl 5-[[3-(4-fluorophenyl)-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylate has a molecular weight of 444.46 g/mol, XLogP of 5.80, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[3-(4-fluorophenyl)-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylate is sourced from PubChem (CID 66644439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).