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

C20H19NO5 — CID 16588780

IUPAC(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2,4-dimethoxybenzoate
SMILESCOc1ccc(C(=O)OCc2nc(-c3ccccc3)oc2C)c(OC)c1
InChIInChI=1S/C20H19NO5/c1-13-17(21-19(26-13)14-7-5-4-6-8-14)12-25-20(22)16-10-9-15(23-2)11-18(16)24-3/h4-11H,12H2,1-3H3
InChIKeyWRNWJFBGWJAZOS-UHFFFAOYSA-N
MW353.37 g/mol
LogP4.02
Rot. Bonds6

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

(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2,4-dimethoxybenzoate (PubChem CID 16588780) has the molecular formula C20H19NO5 and a molecular weight of 353.37 g/mol. Its IUPAC name is (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2,4-dimethoxybenzoate.

Molecular Properties

Compound Name(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2,4-dimethoxybenzoate
PubChem CID16588780
Molecular FormulaC20H19NO5
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC Name(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2,4-dimethoxybenzoate
SMILESCOc1ccc(C(=O)OCc2nc(-c3ccccc3)oc2C)c(OC)c1
InChIInChI=1S/C20H19NO5/c1-13-17(21-19(26-13)14-7-5-4-6-8-14)12-25-20(22)16-10-9-15(23-2)11-18(16)24-3/h4-11H,12H2,1-3H3
InChIKeyWRNWJFBGWJAZOS-UHFFFAOYSA-N
XLogP4.02
TPSA70.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-methylbenzoate
CID 16588766
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-fluorobenzoate
CID 16588712
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl naphthalene-1-carboxylate
CID 16588864
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-[(4-methoxyphenyl)sulfonylamino]benzoate
CID 16617005
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzoate
CID 16589210
(2-hydroxy-4-methoxyphenyl)-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methanone
CID 68911275
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-hydroxy-3-methylbenzoate
CID 16588903
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4-methoxy-3-nitrobenzoate
CID 16961576
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-chloro-4-nitrobenzoate
CID 16961571
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 3,4-dichlorobenzoate
CID 16588714
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4,5-dimethoxy-2-[(2-thiophen-2-ylacetyl)amino]benzoate
CID 55504264
2-[5-methoxy-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]benzoyl]phenoxy]-3-methylbutanoic acid
CID 68914877

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2,4-dimethoxybenzoate?
The IUPAC name of (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2,4-dimethoxybenzoate (CID 16588780) is (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2,4-dimethoxybenzoate.
What is the SMILES notation for (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2,4-dimethoxybenzoate?
The canonical SMILES for (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2,4-dimethoxybenzoate is COc1ccc(C(=O)OCc2nc(-c3ccccc3)oc2C)c(OC)c1.
What is the InChIKey of (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2,4-dimethoxybenzoate?
The InChIKey is WRNWJFBGWJAZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO5/c1-13-17(21-19(26-13)14-7-5-4-6-8-14)12-25-20(22)16-10-9-15(23-2)11-18(16)24-3/h4-11H,12H2,1-3H3.
What are the key properties of (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2,4-dimethoxybenzoate?
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2,4-dimethoxybenzoate has a molecular weight of 353.37 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2,4-dimethoxybenzoate is sourced from PubChem (CID 16588780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).