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

C27H25NO5 — CID 16870133

IUPAC[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 3,3-diphenylpropanoate
SMILESCOc1ccc(-c2cc(COC(=O)CC(c3ccccc3)c3ccccc3)no2)cc1OC
InChIInChI=1S/C27H25NO5/c1-30-24-14-13-21(15-26(24)31-2)25-16-22(28-33-25)18-32-27(29)17-23(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-16,23H,17-18H2,1-2H3
InChIKeyWKPPOWWZGHRXQW-UHFFFAOYSA-N
MW443.50 g/mol
LogP5.62
Rot. Bonds9

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

[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 3,3-diphenylpropanoate (PubChem CID 16870133) has the molecular formula C27H25NO5 and a molecular weight of 443.50 g/mol. Its IUPAC name is [5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 3,3-diphenylpropanoate.

Molecular Properties

Compound Name[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 3,3-diphenylpropanoate
PubChem CID16870133
Molecular FormulaC27H25NO5
Molecular Weight443.50 g/mol
Exact Mass443.17
IUPAC Name[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 3,3-diphenylpropanoate
SMILESCOc1ccc(-c2cc(COC(=O)CC(c3ccccc3)c3ccccc3)no2)cc1OC
InChIInChI=1S/C27H25NO5/c1-30-24-14-13-21(15-26(24)31-2)25-16-22(28-33-25)18-32-27(29)17-23(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-16,23H,17-18H2,1-2H3
InChIKeyWKPPOWWZGHRXQW-UHFFFAOYSA-N
XLogP5.62
TPSA70.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.50
LogP ≤ 55.62
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-phenyl-1,2-oxazol-3-yl)methyl 4-(3,4-dimethoxyphenyl)-4-oxobutanoate
CID 39968645
[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl (Z)-but-2-enoate
CID 16870045
[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 4-(dimethylsulfamoyl)benzoate
CID 16870135
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetate
CID 55404502
[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl 3,4-dimethoxybenzoate
CID 16869806
N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-ethylsulfanylbenzamide
CID 16867345
[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
[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 16870134
N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]naphthalene-2-carboxamide
CID 16867283
N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-fluorobenzamide
CID 16867253

Frequently Asked Questions

What is the IUPAC name of [5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 3,3-diphenylpropanoate?
The IUPAC name of [5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 3,3-diphenylpropanoate (CID 16870133) is [5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 3,3-diphenylpropanoate.
What is the SMILES notation for [5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 3,3-diphenylpropanoate?
The canonical SMILES for [5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 3,3-diphenylpropanoate is COc1ccc(-c2cc(COC(=O)CC(c3ccccc3)c3ccccc3)no2)cc1OC.
What is the InChIKey of [5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 3,3-diphenylpropanoate?
The InChIKey is WKPPOWWZGHRXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO5/c1-30-24-14-13-21(15-26(24)31-2)25-16-22(28-33-25)18-32-27(29)17-23(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-16,23H,17-18H2,1-2H3.
What are the key properties of [5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 3,3-diphenylpropanoate?
[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 3,3-diphenylpropanoate has a molecular weight of 443.50 g/mol, XLogP of 5.62, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 3,3-diphenylpropanoate is sourced from PubChem (CID 16870133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).