ethyl 2-fluoro-4-[3-(furan-2-yl)-5-phenyl-1,2-oxazol-4-yl]benzoate

C22H16FNO4 — CID 24761327

IUPACethyl 2-fluoro-4-[3-(furan-2-yl)-5-phenyl-1,2-oxazol-4-yl]benzoate
SMILESCCOC(=O)c1ccc(-c2c(-c3ccco3)noc2-c2ccccc2)cc1F
InChIInChI=1S/C22H16FNO4/c1-2-26-22(25)16-11-10-15(13-17(16)23)19-20(18-9-6-12-27-18)24-28-21(19)14-7-4-3-5-8-14/h3-13H,2H2,1H3
InChIKeyUTBIIZNCLGBTFG-UHFFFAOYSA-N
MW377.37 g/mol
LogP5.58
Rot. Bonds5

About ethyl 2-fluoro-4-[3-(furan-2-yl)-5-phenyl-1,2-oxazol-4-yl]benzoate

ethyl 2-fluoro-4-[3-(furan-2-yl)-5-phenyl-1,2-oxazol-4-yl]benzoate (PubChem CID 24761327) has the molecular formula C22H16FNO4 and a molecular weight of 377.37 g/mol. Its IUPAC name is ethyl 2-fluoro-4-[3-(furan-2-yl)-5-phenyl-1,2-oxazol-4-yl]benzoate.

Molecular Properties

Compound Nameethyl 2-fluoro-4-[3-(furan-2-yl)-5-phenyl-1,2-oxazol-4-yl]benzoate
PubChem CID24761327
Molecular FormulaC22H16FNO4
Molecular Weight377.37 g/mol
Exact Mass377.11
IUPAC Nameethyl 2-fluoro-4-[3-(furan-2-yl)-5-phenyl-1,2-oxazol-4-yl]benzoate
SMILESCCOC(=O)c1ccc(-c2c(-c3ccco3)noc2-c2ccccc2)cc1F
InChIInChI=1S/C22H16FNO4/c1-2-26-22(25)16-11-10-15(13-17(16)23)19-20(18-9-6-12-27-18)24-28-21(19)14-7-4-3-5-8-14/h3-13H,2H2,1H3
InChIKeyUTBIIZNCLGBTFG-UHFFFAOYSA-N
XLogP5.58
TPSA65.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.37
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-4-[3-(furan-2-yl)-5-phenyl-1,2-oxazol-4-yl]benzoate?
The IUPAC name of ethyl 2-fluoro-4-[3-(furan-2-yl)-5-phenyl-1,2-oxazol-4-yl]benzoate (CID 24761327) is ethyl 2-fluoro-4-[3-(furan-2-yl)-5-phenyl-1,2-oxazol-4-yl]benzoate.
What is the SMILES notation for ethyl 2-fluoro-4-[3-(furan-2-yl)-5-phenyl-1,2-oxazol-4-yl]benzoate?
The canonical SMILES for ethyl 2-fluoro-4-[3-(furan-2-yl)-5-phenyl-1,2-oxazol-4-yl]benzoate is CCOC(=O)c1ccc(-c2c(-c3ccco3)noc2-c2ccccc2)cc1F.
What is the InChIKey of ethyl 2-fluoro-4-[3-(furan-2-yl)-5-phenyl-1,2-oxazol-4-yl]benzoate?
The InChIKey is UTBIIZNCLGBTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FNO4/c1-2-26-22(25)16-11-10-15(13-17(16)23)19-20(18-9-6-12-27-18)24-28-21(19)14-7-4-3-5-8-14/h3-13H,2H2,1H3.
What are the key properties of ethyl 2-fluoro-4-[3-(furan-2-yl)-5-phenyl-1,2-oxazol-4-yl]benzoate?
ethyl 2-fluoro-4-[3-(furan-2-yl)-5-phenyl-1,2-oxazol-4-yl]benzoate has a molecular weight of 377.37 g/mol, XLogP of 5.58, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-4-[3-(furan-2-yl)-5-phenyl-1,2-oxazol-4-yl]benzoate is sourced from PubChem (CID 24761327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).