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

C20H19NO6 — CID 16869806

IUPAC[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl 3,4-dimethoxybenzoate
SMILESCOc1cccc(-c2cc(COC(=O)c3ccc(OC)c(OC)c3)no2)c1
InChIInChI=1S/C20H19NO6/c1-23-16-6-4-5-13(9-16)18-11-15(21-27-18)12-26-20(22)14-7-8-17(24-2)19(10-14)25-3/h4-11H,12H2,1-3H3
InChIKeyHNIWWYZJYNWDSC-UHFFFAOYSA-N
MW369.37 g/mol
LogP3.72
Rot. Bonds7

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

[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl 3,4-dimethoxybenzoate (PubChem CID 16869806) has the molecular formula C20H19NO6 and a molecular weight of 369.37 g/mol. Its IUPAC name is [5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl 3,4-dimethoxybenzoate.

Molecular Properties

Compound Name[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl 3,4-dimethoxybenzoate
PubChem CID16869806
Molecular FormulaC20H19NO6
Molecular Weight369.37 g/mol
Exact Mass369.12
IUPAC Name[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl 3,4-dimethoxybenzoate
SMILESCOc1cccc(-c2cc(COC(=O)c3ccc(OC)c(OC)c3)no2)c1
InChIInChI=1S/C20H19NO6/c1-23-16-6-4-5-13(9-16)18-11-15(21-27-18)12-26-20(22)14-7-8-17(24-2)19(10-14)25-3/h4-11H,12H2,1-3H3
InChIKeyHNIWWYZJYNWDSC-UHFFFAOYSA-N
XLogP3.72
TPSA80.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(5-phenyl-1,2-oxazol-3-yl)methyl 3-methoxybenzoate
CID 9019208
[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-methylbenzoate
CID 16869792
[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 3-methoxybenzoate
CID 16869669
[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 4-methyl-3-nitrobenzoate
CID 16870087
[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-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-ethylsulfanylbenzoate
CID 16869906
[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 4-(dimethylsulfamoyl)benzoate
CID 16870135
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 3-methoxy-4-(3-methylbutoxy)benzoate
CID 16564672
[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 3,4-difluorobenzoate
CID 16869952
[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanamine;hydrochloride
CID 50998515
4-methoxy-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866986

Frequently Asked Questions

What is the IUPAC name of [5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl 3,4-dimethoxybenzoate?
The IUPAC name of [5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl 3,4-dimethoxybenzoate (CID 16869806) is [5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl 3,4-dimethoxybenzoate.
What is the SMILES notation for [5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl 3,4-dimethoxybenzoate?
The canonical SMILES for [5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl 3,4-dimethoxybenzoate is COc1cccc(-c2cc(COC(=O)c3ccc(OC)c(OC)c3)no2)c1.
What is the InChIKey of [5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl 3,4-dimethoxybenzoate?
The InChIKey is HNIWWYZJYNWDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO6/c1-23-16-6-4-5-13(9-16)18-11-15(21-27-18)12-26-20(22)14-7-8-17(24-2)19(10-14)25-3/h4-11H,12H2,1-3H3.
What are the key properties of [5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl 3,4-dimethoxybenzoate?
[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl 3,4-dimethoxybenzoate has a molecular weight of 369.37 g/mol, XLogP of 3.72, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl 3,4-dimethoxybenzoate is sourced from PubChem (CID 16869806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).