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

C22H15NO5 — CID 8808452

IUPAC[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 4-benzoylbenzoate
SMILESO=C(OCc1cc(-c2ccco2)on1)c1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C22H15NO5/c24-21(15-5-2-1-3-6-15)16-8-10-17(11-9-16)22(25)27-14-18-13-20(28-23-18)19-7-4-12-26-19/h1-13H,14H2
InChIKeyXJGKATKQTTVGQL-UHFFFAOYSA-N
MW373.36 g/mol
LogP4.52
Rot. Bonds6

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

[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 4-benzoylbenzoate (PubChem CID 8808452) has the molecular formula C22H15NO5 and a molecular weight of 373.36 g/mol. Its IUPAC name is [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 4-benzoylbenzoate.

Molecular Properties

Compound Name[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 4-benzoylbenzoate
PubChem CID8808452
Molecular FormulaC22H15NO5
Molecular Weight373.36 g/mol
Exact Mass373.10
IUPAC Name[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 4-benzoylbenzoate
SMILESO=C(OCc1cc(-c2ccco2)on1)c1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C22H15NO5/c24-21(15-5-2-1-3-6-15)16-8-10-17(11-9-16)22(25)27-14-18-13-20(28-23-18)19-7-4-12-26-19/h1-13H,14H2
InChIKeyXJGKATKQTTVGQL-UHFFFAOYSA-N
XLogP4.52
TPSA82.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.36
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
CID 16602061
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2H-chromene-3-carboxylate
CID 8749200
4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]benzoic acid
CID 43214757
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl benzoate
CID 8648321
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 8631782
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-[(2-phenylacetyl)amino]benzoate
CID 8809666
N-(2-benzoylphenyl)-2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]acetamide
CID 17254324
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 3-methoxy-4-(3-methylbutoxy)benzoate
CID 16564672
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(2-chlorophenyl)acetate
CID 40752868
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 8644249
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-pyridin-4-ylquinoline-4-carboxylate
CID 154799956
(5-phenyl-1,2-oxazol-3-yl)methyl 3-methoxybenzoate
CID 9019208

Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 4-benzoylbenzoate?
The IUPAC name of [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 4-benzoylbenzoate (CID 8808452) is [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 4-benzoylbenzoate.
What is the SMILES notation for [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 4-benzoylbenzoate?
The canonical SMILES for [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 4-benzoylbenzoate is O=C(OCc1cc(-c2ccco2)on1)c1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 4-benzoylbenzoate?
The InChIKey is XJGKATKQTTVGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15NO5/c24-21(15-5-2-1-3-6-15)16-8-10-17(11-9-16)22(25)27-14-18-13-20(28-23-18)19-7-4-12-26-19/h1-13H,14H2.
What are the key properties of [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 4-benzoylbenzoate?
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 4-benzoylbenzoate has a molecular weight of 373.36 g/mol, XLogP of 4.52, 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 4-benzoylbenzoate is sourced from PubChem (CID 8808452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).