[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-(3-methylphenoxy)acetate

C20H19NO5 — CID 16869988

IUPAC[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-(3-methylphenoxy)acetate
SMILESCOc1ccc(-c2cc(COC(=O)COc3cccc(C)c3)no2)cc1
InChIInChI=1S/C20H19NO5/c1-14-4-3-5-18(10-14)24-13-20(22)25-12-16-11-19(26-21-16)15-6-8-17(23-2)9-7-15/h3-11H,12-13H2,1-2H3
InChIKeyYMTAXCTZZDIVMB-UHFFFAOYSA-N
MW353.37 g/mol
LogP3.78
Rot. Bonds7

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

[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-(3-methylphenoxy)acetate (PubChem CID 16869988) has the molecular formula C20H19NO5 and a molecular weight of 353.37 g/mol. Its IUPAC name is [5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-(3-methylphenoxy)acetate.

Molecular Properties

Compound Name[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-(3-methylphenoxy)acetate
PubChem CID16869988
Molecular FormulaC20H19NO5
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC Name[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-(3-methylphenoxy)acetate
SMILESCOc1ccc(-c2cc(COC(=O)COc3cccc(C)c3)no2)cc1
InChIInChI=1S/C20H19NO5/c1-14-4-3-5-18(10-14)24-13-20(22)25-12-16-11-19(26-21-16)15-6-8-17(23-2)9-7-15/h3-11H,12-13H2,1-2H3
InChIKeyYMTAXCTZZDIVMB-UHFFFAOYSA-N
XLogP3.78
TPSA70.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 2-phenoxyacetate
CID 16870103
[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 3-(4-methoxyphenyl)propanoate
CID 16870033
N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2-(3-methylphenoxy)acetamide
CID 16866920
2-O-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 16870041
[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-chlorobenzoate
CID 16869944
(5-phenyl-1,2-oxazol-3-yl)methyl 3-methoxybenzoate
CID 9019208
N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-naphthalen-2-yloxyacetamide
CID 16867168
[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 3-methoxybenzoate
CID 16869669
[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 3,4-difluorobenzoate
CID 16869952
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-(4-chloro-3-methylphenoxy)acetate
CID 7846114
[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-ethoxynaphthalene-1-carboxylate
CID 16869971
[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-methylbenzoate
CID 16869792

Frequently Asked Questions

What is the IUPAC name of [5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-(3-methylphenoxy)acetate?
The IUPAC name of [5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-(3-methylphenoxy)acetate (CID 16869988) is [5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-(3-methylphenoxy)acetate.
What is the SMILES notation for [5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-(3-methylphenoxy)acetate?
The canonical SMILES for [5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-(3-methylphenoxy)acetate is COc1ccc(-c2cc(COC(=O)COc3cccc(C)c3)no2)cc1.
What is the InChIKey of [5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-(3-methylphenoxy)acetate?
The InChIKey is YMTAXCTZZDIVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO5/c1-14-4-3-5-18(10-14)24-13-20(22)25-12-16-11-19(26-21-16)15-6-8-17(23-2)9-7-15/h3-11H,12-13H2,1-2H3.
What are the key properties of [5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-(3-methylphenoxy)acetate?
[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-(3-methylphenoxy)acetate has a molecular weight of 353.37 g/mol, XLogP of 3.78, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-(3-methylphenoxy)acetate is sourced from PubChem (CID 16869988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).