[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(4-acetylphenoxy)acetate

C18H15NO6 — CID 8806357

IUPAC[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(4-acetylphenoxy)acetate
SMILESCC(=O)c1ccc(OCC(=O)OCc2cc(-c3ccco3)on2)cc1
InChIInChI=1S/C18H15NO6/c1-12(20)13-4-6-15(7-5-13)23-11-18(21)24-10-14-9-17(25-19-14)16-3-2-8-22-16/h2-9H,10-11H2,1H3
InChIKeyFGRFTLIJVLVNJM-UHFFFAOYSA-N
MW341.32 g/mol
LogP3.26
Rot. Bonds7

About [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(4-acetylphenoxy)acetate

[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(4-acetylphenoxy)acetate (PubChem CID 8806357) has the molecular formula C18H15NO6 and a molecular weight of 341.32 g/mol. Its IUPAC name is [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(4-acetylphenoxy)acetate.

Molecular Properties

Compound Name[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(4-acetylphenoxy)acetate
PubChem CID8806357
Molecular FormulaC18H15NO6
Molecular Weight341.32 g/mol
Exact Mass341.09
IUPAC Name[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(4-acetylphenoxy)acetate
SMILESCC(=O)c1ccc(OCC(=O)OCc2cc(-c3ccco3)on2)cc1
InChIInChI=1S/C18H15NO6/c1-12(20)13-4-6-15(7-5-13)23-11-18(21)24-10-14-9-17(25-19-14)16-3-2-8-22-16/h2-9H,10-11H2,1H3
InChIKeyFGRFTLIJVLVNJM-UHFFFAOYSA-N
XLogP3.26
TPSA91.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.32
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(4-acetylphenoxy)acetate?
The IUPAC name of [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(4-acetylphenoxy)acetate (CID 8806357) is [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(4-acetylphenoxy)acetate.
What is the SMILES notation for [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(4-acetylphenoxy)acetate?
The canonical SMILES for [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(4-acetylphenoxy)acetate is CC(=O)c1ccc(OCC(=O)OCc2cc(-c3ccco3)on2)cc1.
What is the InChIKey of [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(4-acetylphenoxy)acetate?
The InChIKey is FGRFTLIJVLVNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO6/c1-12(20)13-4-6-15(7-5-13)23-11-18(21)24-10-14-9-17(25-19-14)16-3-2-8-22-16/h2-9H,10-11H2,1H3.
What are the key properties of [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(4-acetylphenoxy)acetate?
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(4-acetylphenoxy)acetate has a molecular weight of 341.32 g/mol, XLogP of 3.26, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(4-acetylphenoxy)acetate is sourced from PubChem (CID 8806357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).