(5-phenyl-1,3-oxazol-2-yl)methyl 4-ethoxy-3-methoxybenzoate

C20H19NO5 — CID 7811686

IUPAC(5-phenyl-1,3-oxazol-2-yl)methyl 4-ethoxy-3-methoxybenzoate
SMILESCCOc1ccc(C(=O)OCc2ncc(-c3ccccc3)o2)cc1OC
InChIInChI=1S/C20H19NO5/c1-3-24-16-10-9-15(11-17(16)23-2)20(22)25-13-19-21-12-18(26-19)14-7-5-4-6-8-14/h4-12H,3,13H2,1-2H3
InChIKeyWOZCVSXOLKBGKS-UHFFFAOYSA-N
MW353.37 g/mol
LogP4.11
Rot. Bonds7

About (5-phenyl-1,3-oxazol-2-yl)methyl 4-ethoxy-3-methoxybenzoate

(5-phenyl-1,3-oxazol-2-yl)methyl 4-ethoxy-3-methoxybenzoate (PubChem CID 7811686) has the molecular formula C20H19NO5 and a molecular weight of 353.37 g/mol. Its IUPAC name is (5-phenyl-1,3-oxazol-2-yl)methyl 4-ethoxy-3-methoxybenzoate.

Molecular Properties

Compound Name(5-phenyl-1,3-oxazol-2-yl)methyl 4-ethoxy-3-methoxybenzoate
PubChem CID7811686
Molecular FormulaC20H19NO5
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC Name(5-phenyl-1,3-oxazol-2-yl)methyl 4-ethoxy-3-methoxybenzoate
SMILESCCOc1ccc(C(=O)OCc2ncc(-c3ccccc3)o2)cc1OC
InChIInChI=1S/C20H19NO5/c1-3-24-16-10-9-15(11-17(16)23-2)20(22)25-13-19-21-12-18(26-19)14-7-5-4-6-8-14/h4-12H,3,13H2,1-2H3
InChIKeyWOZCVSXOLKBGKS-UHFFFAOYSA-N
XLogP4.11
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 ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(5-phenyl-1,3-oxazol-2-yl)methyl 3-chloro-4-ethoxy-5-methoxybenzoate
CID 7654456
(5-phenyl-1,3-oxazol-2-yl)methyl 3-hydroxybenzoate
CID 7790163
(5-phenyl-1,3-oxazol-2-yl)methyl 3,5-dichloro-4-methoxybenzoate
CID 9125999
(5-phenyl-1,3-oxazol-2-yl)methyl 3-iodobenzoate
CID 8011127
(5-phenyl-1,3-oxazol-2-yl)methyl 3-phenoxybenzoate
CID 16521994
(5-phenyl-1,3-oxazol-2-yl)methyl 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 16532904
(2-phenyl-1,3-thiazol-4-yl)methyl 4-ethoxy-3-methoxybenzoate
CID 7416076
[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-ethoxy-3-methoxybenzoate
CID 16516095
[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-ethoxy-3-methoxybenzoate
CID 16516071
(5-phenyl-1,3-oxazol-2-yl)methyl 2-fluoro-4-methoxybenzoate
CID 8509326
(5-phenyl-1,3-oxazol-2-yl)methyl 2,5-dimethylfuran-3-carboxylate
CID 8861226
(5-phenyl-1,3-oxazol-2-yl)methyl (E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoate
CID 7971522

Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,3-oxazol-2-yl)methyl 4-ethoxy-3-methoxybenzoate?
The IUPAC name of (5-phenyl-1,3-oxazol-2-yl)methyl 4-ethoxy-3-methoxybenzoate (CID 7811686) is (5-phenyl-1,3-oxazol-2-yl)methyl 4-ethoxy-3-methoxybenzoate.
What is the SMILES notation for (5-phenyl-1,3-oxazol-2-yl)methyl 4-ethoxy-3-methoxybenzoate?
The canonical SMILES for (5-phenyl-1,3-oxazol-2-yl)methyl 4-ethoxy-3-methoxybenzoate is CCOc1ccc(C(=O)OCc2ncc(-c3ccccc3)o2)cc1OC.
What is the InChIKey of (5-phenyl-1,3-oxazol-2-yl)methyl 4-ethoxy-3-methoxybenzoate?
The InChIKey is WOZCVSXOLKBGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO5/c1-3-24-16-10-9-15(11-17(16)23-2)20(22)25-13-19-21-12-18(26-19)14-7-5-4-6-8-14/h4-12H,3,13H2,1-2H3.
What are the key properties of (5-phenyl-1,3-oxazol-2-yl)methyl 4-ethoxy-3-methoxybenzoate?
(5-phenyl-1,3-oxazol-2-yl)methyl 4-ethoxy-3-methoxybenzoate has a molecular weight of 353.37 g/mol, XLogP of 4.11, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,3-oxazol-2-yl)methyl 4-ethoxy-3-methoxybenzoate is sourced from PubChem (CID 7811686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).