[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 2-phenoxyacetate

C20H19NO6 — CID 16870103

IUPAC[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 2-phenoxyacetate
SMILESCOc1ccc(-c2cc(COC(=O)COc3ccccc3)no2)cc1OC
InChIInChI=1S/C20H19NO6/c1-23-17-9-8-14(10-19(17)24-2)18-11-15(21-27-18)12-26-20(22)13-25-16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3
InChIKeyFRAZMXOECVJSFL-UHFFFAOYSA-N
MW369.37 g/mol
LogP3.48
Rot. Bonds8

About [5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 2-phenoxyacetate

[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 2-phenoxyacetate (PubChem CID 16870103) has the molecular formula C20H19NO6 and a molecular weight of 369.37 g/mol. Its IUPAC name is [5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 2-phenoxyacetate.

Molecular Properties

Compound Name[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 2-phenoxyacetate
PubChem CID16870103
Molecular FormulaC20H19NO6
Molecular Weight369.37 g/mol
Exact Mass369.12
IUPAC Name[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 2-phenoxyacetate
SMILESCOc1ccc(-c2cc(COC(=O)COc3ccccc3)no2)cc1OC
InChIInChI=1S/C20H19NO6/c1-23-17-9-8-14(10-19(17)24-2)18-11-15(21-27-18)12-26-20(22)13-25-16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3
InChIKeyFRAZMXOECVJSFL-UHFFFAOYSA-N
XLogP3.48
TPSA80.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 3,3-diphenylpropanoate
CID 16870133
(5-phenyl-1,2-oxazol-3-yl)methyl 4-(3,4-dimethoxyphenyl)-4-oxobutanoate
CID 39968645
[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-(3-methylphenoxy)acetate
CID 16869988
[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl 3,4-dimethoxybenzoate
CID 16869806
[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl (Z)-but-2-enoate
CID 16870045
2-(4-chlorophenoxy)-N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]acetamide
CID 16867291
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetate
CID 55404502
N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]naphthalene-2-carboxamide
CID 16867283
[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 4-(dimethylsulfamoyl)benzoate
CID 16870135
(5-phenyl-1,2-oxazol-3-yl)methyl 3-methoxybenzoate
CID 9019208
[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 16870149
2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 16879298

Frequently Asked Questions

What is the IUPAC name of [5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 2-phenoxyacetate?
The IUPAC name of [5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 2-phenoxyacetate (CID 16870103) is [5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 2-phenoxyacetate.
What is the SMILES notation for [5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 2-phenoxyacetate?
The canonical SMILES for [5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 2-phenoxyacetate is COc1ccc(-c2cc(COC(=O)COc3ccccc3)no2)cc1OC.
What is the InChIKey of [5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 2-phenoxyacetate?
The InChIKey is FRAZMXOECVJSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO6/c1-23-17-9-8-14(10-19(17)24-2)18-11-15(21-27-18)12-26-20(22)13-25-16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3.
What are the key properties of [5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 2-phenoxyacetate?
[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 2-phenoxyacetate has a molecular weight of 369.37 g/mol, XLogP of 3.48, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 2-phenoxyacetate is sourced from PubChem (CID 16870103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).