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

C21H21NO5 — CID 16870033

IUPAC[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 3-(4-methoxyphenyl)propanoate
SMILESCOc1ccc(CCC(=O)OCc2cc(-c3ccc(OC)cc3)on2)cc1
InChIInChI=1S/C21H21NO5/c1-24-18-8-3-15(4-9-18)5-12-21(23)26-14-17-13-20(27-22-17)16-6-10-19(25-2)11-7-16/h3-4,6-11,13H,5,12,14H2,1-2H3
InChIKeyAGDRVWPUSODAMG-UHFFFAOYSA-N
MW367.40 g/mol
LogP4.03
Rot. Bonds8

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

[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 3-(4-methoxyphenyl)propanoate (PubChem CID 16870033) has the molecular formula C21H21NO5 and a molecular weight of 367.40 g/mol. Its IUPAC name is [5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 3-(4-methoxyphenyl)propanoate.

Molecular Properties

Compound Name[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 3-(4-methoxyphenyl)propanoate
PubChem CID16870033
Molecular FormulaC21H21NO5
Molecular Weight367.40 g/mol
Exact Mass367.14
IUPAC Name[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 3-(4-methoxyphenyl)propanoate
SMILESCOc1ccc(CCC(=O)OCc2cc(-c3ccc(OC)cc3)on2)cc1
InChIInChI=1S/C21H21NO5/c1-24-18-8-3-15(4-9-18)5-12-21(23)26-14-17-13-20(27-22-17)16-6-10-19(25-2)11-7-16/h3-4,6-11,13H,5,12,14H2,1-2H3
InChIKeyAGDRVWPUSODAMG-UHFFFAOYSA-N
XLogP4.03
TPSA70.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 3-(4-methoxyphenyl)propanoate
CID 16580397
[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-(3-methylphenoxy)acetate
CID 16869988
2-O-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 16870041
(5-phenyl-1,2-oxazol-3-yl)methyl 3-[4-(diethylsulfamoyl)phenyl]propanoate
CID 55403615
[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-(4-methoxyphenyl)propanoate
CID 34740429
[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-chlorobenzoate
CID 16869944
[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 3,4-difluorobenzoate
CID 16869952
(2-phenyl-1,3-oxazol-4-yl)methyl 3-(4-methoxyphenyl)propanoate
CID 31718301
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate
CID 18280129
3-ethyl-5-(4-methoxyphenyl)-1,2-oxazole
CID 59226263
[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-(4-methoxyphenyl)propanoate
CID 8534566
(4-methoxyphenyl)methyl 3-phenylpropanoate
CID 23201626

Frequently Asked Questions

What is the IUPAC name of [5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 3-(4-methoxyphenyl)propanoate?
The IUPAC name of [5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 3-(4-methoxyphenyl)propanoate (CID 16870033) is [5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 3-(4-methoxyphenyl)propanoate.
What is the SMILES notation for [5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 3-(4-methoxyphenyl)propanoate?
The canonical SMILES for [5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 3-(4-methoxyphenyl)propanoate is COc1ccc(CCC(=O)OCc2cc(-c3ccc(OC)cc3)on2)cc1.
What is the InChIKey of [5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 3-(4-methoxyphenyl)propanoate?
The InChIKey is AGDRVWPUSODAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO5/c1-24-18-8-3-15(4-9-18)5-12-21(23)26-14-17-13-20(27-22-17)16-6-10-19(25-2)11-7-16/h3-4,6-11,13H,5,12,14H2,1-2H3.
What are the key properties of [5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 3-(4-methoxyphenyl)propanoate?
[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 3-(4-methoxyphenyl)propanoate has a molecular weight of 367.40 g/mol, XLogP of 4.03, 8 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 3-(4-methoxyphenyl)propanoate is sourced from PubChem (CID 16870033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).