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

C20H17NO5 — CID 8526254

IUPAC(5-phenyl-1,3-oxazol-2-yl)methyl 2-(3-acetylphenoxy)acetate
SMILESCC(=O)c1cccc(OCC(=O)OCc2ncc(-c3ccccc3)o2)c1
InChIInChI=1S/C20H17NO5/c1-14(22)16-8-5-9-17(10-16)24-13-20(23)25-12-19-21-11-18(26-19)15-6-3-2-4-7-15/h2-11H,12-13H2,1H3
InChIKeyBZCIWTJWEWDAQY-UHFFFAOYSA-N
MW351.36 g/mol
LogP3.67
Rot. Bonds7

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

(5-phenyl-1,3-oxazol-2-yl)methyl 2-(3-acetylphenoxy)acetate (PubChem CID 8526254) has the molecular formula C20H17NO5 and a molecular weight of 351.36 g/mol. Its IUPAC name is (5-phenyl-1,3-oxazol-2-yl)methyl 2-(3-acetylphenoxy)acetate.

Molecular Properties

Compound Name(5-phenyl-1,3-oxazol-2-yl)methyl 2-(3-acetylphenoxy)acetate
PubChem CID8526254
Molecular FormulaC20H17NO5
Molecular Weight351.36 g/mol
Exact Mass351.11
IUPAC Name(5-phenyl-1,3-oxazol-2-yl)methyl 2-(3-acetylphenoxy)acetate
SMILESCC(=O)c1cccc(OCC(=O)OCc2ncc(-c3ccccc3)o2)c1
InChIInChI=1S/C20H17NO5/c1-14(22)16-8-5-9-17(10-16)24-13-20(23)25-12-19-21-11-18(26-19)15-6-3-2-4-7-15/h2-11H,12-13H2,1H3
InChIKeyBZCIWTJWEWDAQY-UHFFFAOYSA-N
XLogP3.67
TPSA78.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(5-phenyl-1,3-oxazol-2-yl)methyl 3-phenoxybenzoate
CID 16521994
(5-phenyl-1,3-oxazol-2-yl)methyl 3-hydroxybenzoate
CID 7790163
(5-phenyl-1,3-oxazol-2-yl)methyl 3-iodobenzoate
CID 8011127
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(3-methylphenoxy)acetate
CID 7853413
2-phenylethyl 2-(3-acetylphenoxy)acetate
CID 82311984
(5-phenyl-1,3-oxazol-2-yl)methyl 2-[(Z)-(4-methoxyphenyl)methylideneamino]oxyacetate
CID 8925967
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-acetyl-2-methoxyphenoxy)acetate
CID 7902722
(5-phenyl-1,3-oxazol-2-yl)methyl 2-hydroxy-2,2-diphenylacetate
CID 16500406
(5-phenyl-1,3-oxazol-2-yl)methyl 4-(4-fluorophenyl)-4-oxobutanoate
CID 7967630
(5-phenyl-1,3-oxazol-2-yl)methyl 2,5-dimethylfuran-3-carboxylate
CID 8861226
(5-phenyl-1,3-oxazol-2-yl)methyl 3,5-dichloro-4-methoxybenzoate
CID 9125999
(5-phenyl-1,3-oxazol-2-yl)methyl 2-[(2R)-oxolan-2-yl]acetate
CID 95141072

Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,3-oxazol-2-yl)methyl 2-(3-acetylphenoxy)acetate?
The IUPAC name of (5-phenyl-1,3-oxazol-2-yl)methyl 2-(3-acetylphenoxy)acetate (CID 8526254) is (5-phenyl-1,3-oxazol-2-yl)methyl 2-(3-acetylphenoxy)acetate.
What is the SMILES notation for (5-phenyl-1,3-oxazol-2-yl)methyl 2-(3-acetylphenoxy)acetate?
The canonical SMILES for (5-phenyl-1,3-oxazol-2-yl)methyl 2-(3-acetylphenoxy)acetate is CC(=O)c1cccc(OCC(=O)OCc2ncc(-c3ccccc3)o2)c1.
What is the InChIKey of (5-phenyl-1,3-oxazol-2-yl)methyl 2-(3-acetylphenoxy)acetate?
The InChIKey is BZCIWTJWEWDAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO5/c1-14(22)16-8-5-9-17(10-16)24-13-20(23)25-12-19-21-11-18(26-19)15-6-3-2-4-7-15/h2-11H,12-13H2,1H3.
What are the key properties of (5-phenyl-1,3-oxazol-2-yl)methyl 2-(3-acetylphenoxy)acetate?
(5-phenyl-1,3-oxazol-2-yl)methyl 2-(3-acetylphenoxy)acetate has a molecular weight of 351.36 g/mol, XLogP of 3.67, 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 2-(3-acetylphenoxy)acetate is sourced from PubChem (CID 8526254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).