[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-phenoxyacetate

C16H13NO5 — CID 9018308

IUPAC[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-phenoxyacetate
SMILESO=C(COc1ccccc1)OCc1cc(-c2ccco2)on1
InChIInChI=1S/C16H13NO5/c18-16(11-20-13-5-2-1-3-6-13)21-10-12-9-15(22-17-12)14-7-4-8-19-14/h1-9H,10-11H2
InChIKeyBTOOYXKZBHKCGD-UHFFFAOYSA-N
MW299.28 g/mol
LogP3.06
Rot. Bonds6

About [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-phenoxyacetate

[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-phenoxyacetate (PubChem CID 9018308) has the molecular formula C16H13NO5 and a molecular weight of 299.28 g/mol. Its IUPAC name is [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-phenoxyacetate.

Molecular Properties

Compound Name[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-phenoxyacetate
PubChem CID9018308
Molecular FormulaC16H13NO5
Molecular Weight299.28 g/mol
Exact Mass299.08
IUPAC Name[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-phenoxyacetate
SMILESO=C(COc1ccccc1)OCc1cc(-c2ccco2)on1
InChIInChI=1S/C16H13NO5/c18-16(11-20-13-5-2-1-3-6-13)21-10-12-9-15(22-17-12)14-7-4-8-19-14/h1-9H,10-11H2
InChIKeyBTOOYXKZBHKCGD-UHFFFAOYSA-N
XLogP3.06
TPSA74.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.28
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-phenoxyacetate?
The IUPAC name of [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-phenoxyacetate (CID 9018308) is [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-phenoxyacetate.
What is the SMILES notation for [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-phenoxyacetate?
The canonical SMILES for [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-phenoxyacetate is O=C(COc1ccccc1)OCc1cc(-c2ccco2)on1.
What is the InChIKey of [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-phenoxyacetate?
The InChIKey is BTOOYXKZBHKCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO5/c18-16(11-20-13-5-2-1-3-6-13)21-10-12-9-15(22-17-12)14-7-4-8-19-14/h1-9H,10-11H2.
What are the key properties of [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-phenoxyacetate?
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-phenoxyacetate has a molecular weight of 299.28 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-phenoxyacetate is sourced from PubChem (CID 9018308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).