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

C21H16N2O4 — CID 55449171

IUPAC(5-phenyl-1,2-oxazol-3-yl)methyl 2-(2-phenyl-1,3-oxazol-4-yl)acetate
SMILESO=C(Cc1coc(-c2ccccc2)n1)OCc1cc(-c2ccccc2)on1
InChIInChI=1S/C21H16N2O4/c24-20(12-17-13-26-21(22-17)16-9-5-2-6-10-16)25-14-18-11-19(27-23-18)15-7-3-1-4-8-15/h1-11,13H,12,14H2
InChIKeyZHKNIRVCFSYMNI-UHFFFAOYSA-N
MW360.37 g/mol
LogP4.28
Rot. Bonds6

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

(5-phenyl-1,2-oxazol-3-yl)methyl 2-(2-phenyl-1,3-oxazol-4-yl)acetate (PubChem CID 55449171) has the molecular formula C21H16N2O4 and a molecular weight of 360.37 g/mol. Its IUPAC name is (5-phenyl-1,2-oxazol-3-yl)methyl 2-(2-phenyl-1,3-oxazol-4-yl)acetate.

Molecular Properties

Compound Name(5-phenyl-1,2-oxazol-3-yl)methyl 2-(2-phenyl-1,3-oxazol-4-yl)acetate
PubChem CID55449171
Molecular FormulaC21H16N2O4
Molecular Weight360.37 g/mol
Exact Mass360.11
IUPAC Name(5-phenyl-1,2-oxazol-3-yl)methyl 2-(2-phenyl-1,3-oxazol-4-yl)acetate
SMILESO=C(Cc1coc(-c2ccccc2)n1)OCc1cc(-c2ccccc2)on1
InChIInChI=1S/C21H16N2O4/c24-20(12-17-13-26-21(22-17)16-9-5-2-6-10-16)25-14-18-11-19(27-23-18)15-7-3-1-4-8-15/h1-11,13H,12,14H2
InChIKeyZHKNIRVCFSYMNI-UHFFFAOYSA-N
XLogP4.28
TPSA78.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-(2-phenyl-1,3-oxazol-4-yl)acetate
CID 15567335
(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-(2-phenyl-1,3-oxazol-4-yl)acetate
CID 55449313
(5-phenyl-1,2-oxazol-3-yl)methyl 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetate
CID 16601599
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(2-phenyl-1,3-oxazol-4-yl)acetate
CID 55449308
(4-pyrazol-1-ylphenyl)methyl 2-(2-phenyl-1,3-oxazol-4-yl)acetate
CID 55447938
(2-phenyl-1,3-oxazol-4-yl)methyl 3-methyl-1,2-oxazole-5-carboxylate
CID 18199699
(5-phenyl-1,2-oxazol-3-yl)methyl 2-hydroxy-2,2-diphenylacetate
CID 8579182
3-(4-chlorophenoxy)propyl 2-(2-phenyl-1,3-oxazol-4-yl)acetate
CID 55568894
(2-phenyl-1,3-oxazol-4-yl)methyl 3-[(2-phenylacetyl)amino]propanoate
CID 55508930
(5-phenyl-1,2-oxazol-3-yl)methyl 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetate
CID 11937894
[2-(2,5-difluorophenyl)-2-oxoethyl] 2-(2-phenyl-1,3-oxazol-4-yl)acetate
CID 55449429
(5-phenyl-1,2-oxazol-3-yl)methyl 2-methyl-2-phenylpropanoate
CID 8568214

Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,2-oxazol-3-yl)methyl 2-(2-phenyl-1,3-oxazol-4-yl)acetate?
The IUPAC name of (5-phenyl-1,2-oxazol-3-yl)methyl 2-(2-phenyl-1,3-oxazol-4-yl)acetate (CID 55449171) is (5-phenyl-1,2-oxazol-3-yl)methyl 2-(2-phenyl-1,3-oxazol-4-yl)acetate.
What is the SMILES notation for (5-phenyl-1,2-oxazol-3-yl)methyl 2-(2-phenyl-1,3-oxazol-4-yl)acetate?
The canonical SMILES for (5-phenyl-1,2-oxazol-3-yl)methyl 2-(2-phenyl-1,3-oxazol-4-yl)acetate is O=C(Cc1coc(-c2ccccc2)n1)OCc1cc(-c2ccccc2)on1.
What is the InChIKey of (5-phenyl-1,2-oxazol-3-yl)methyl 2-(2-phenyl-1,3-oxazol-4-yl)acetate?
The InChIKey is ZHKNIRVCFSYMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O4/c24-20(12-17-13-26-21(22-17)16-9-5-2-6-10-16)25-14-18-11-19(27-23-18)15-7-3-1-4-8-15/h1-11,13H,12,14H2.
What are the key properties of (5-phenyl-1,2-oxazol-3-yl)methyl 2-(2-phenyl-1,3-oxazol-4-yl)acetate?
(5-phenyl-1,2-oxazol-3-yl)methyl 2-(2-phenyl-1,3-oxazol-4-yl)acetate has a molecular weight of 360.37 g/mol, XLogP of 4.28, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,2-oxazol-3-yl)methyl 2-(2-phenyl-1,3-oxazol-4-yl)acetate is sourced from PubChem (CID 55449171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).