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

C21H19NO5 — CID 16589131

IUPAC(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-(4-acetylphenoxy)acetate
SMILESCC(=O)c1ccc(OCC(=O)OCc2nc(-c3ccccc3)oc2C)cc1
InChIInChI=1S/C21H19NO5/c1-14(23)16-8-10-18(11-9-16)25-13-20(24)26-12-19-15(2)27-21(22-19)17-6-4-3-5-7-17/h3-11H,12-13H2,1-2H3
InChIKeyXPPCVTVXTPQIRG-UHFFFAOYSA-N
MW365.39 g/mol
LogP3.97
Rot. Bonds7

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

(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-(4-acetylphenoxy)acetate (PubChem CID 16589131) has the molecular formula C21H19NO5 and a molecular weight of 365.39 g/mol. Its IUPAC name is (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-(4-acetylphenoxy)acetate.

Molecular Properties

Compound Name(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-(4-acetylphenoxy)acetate
PubChem CID16589131
Molecular FormulaC21H19NO5
Molecular Weight365.39 g/mol
Exact Mass365.13
IUPAC Name(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-(4-acetylphenoxy)acetate
SMILESCC(=O)c1ccc(OCC(=O)OCc2nc(-c3ccccc3)oc2C)cc1
InChIInChI=1S/C21H19NO5/c1-14(23)16-8-10-18(11-9-16)25-13-20(24)26-12-19-15(2)27-21(22-19)17-6-4-3-5-7-17/h3-11H,12-13H2,1-2H3
InChIKeyXPPCVTVXTPQIRG-UHFFFAOYSA-N
XLogP3.97
TPSA78.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.97
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-(2-propan-2-ylphenoxy)acetate
CID 24592155
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4-(4-acetyloxyphenyl)benzoate
CID 16588848
1-[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]ethanone
CID 51333609
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4-(4-hydroxyphenyl)benzoate
CID 16588456
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4-fluorobenzoate
CID 16588676
(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 2-(4-fluorophenyl)acetate
CID 16588798
methyl 2-hydroxy-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]acetate
CID 15280381
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-methylbenzoate
CID 16588766
(2-hydroxy-4-methoxyphenyl)-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methanone
CID 68911275
4-[5-methyl-4-(phenoxymethyl)-1,3-oxazol-2-yl]-N-propan-2-ylbenzamide
CID 20916591
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4-[(4-ethoxyphenyl)sulfonylamino]benzoate
CID 16588852

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-(4-acetylphenoxy)acetate?
The IUPAC name of (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-(4-acetylphenoxy)acetate (CID 16589131) is (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-(4-acetylphenoxy)acetate.
What is the SMILES notation for (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-(4-acetylphenoxy)acetate?
The canonical SMILES for (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-(4-acetylphenoxy)acetate is CC(=O)c1ccc(OCC(=O)OCc2nc(-c3ccccc3)oc2C)cc1.
What is the InChIKey of (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-(4-acetylphenoxy)acetate?
The InChIKey is XPPCVTVXTPQIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO5/c1-14(23)16-8-10-18(11-9-16)25-13-20(24)26-12-19-15(2)27-21(22-19)17-6-4-3-5-7-17/h3-11H,12-13H2,1-2H3.
What are the key properties of (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-(4-acetylphenoxy)acetate?
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-(4-acetylphenoxy)acetate has a molecular weight of 365.39 g/mol, XLogP of 3.97, 7 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-acetylphenoxy)acetate is sourced from PubChem (CID 16589131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).