(5-phenyl-1,2-oxazol-3-yl)methyl 2-hydroxy-2,2-diphenylacetate

C24H19NO4 — CID 8579182

IUPAC(5-phenyl-1,2-oxazol-3-yl)methyl 2-hydroxy-2,2-diphenylacetate
SMILESO=C(OCc1cc(-c2ccccc2)on1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H19NO4/c26-23(28-17-21-16-22(29-25-21)18-10-4-1-5-11-18)24(27,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-16,27H,17H2
InChIKeyZCXLHYLQLMSDDT-UHFFFAOYSA-N
MW385.42 g/mol
LogP4.32
Rot. Bonds6

About (5-phenyl-1,2-oxazol-3-yl)methyl 2-hydroxy-2,2-diphenylacetate

(5-phenyl-1,2-oxazol-3-yl)methyl 2-hydroxy-2,2-diphenylacetate (PubChem CID 8579182) has the molecular formula C24H19NO4 and a molecular weight of 385.42 g/mol. Its IUPAC name is (5-phenyl-1,2-oxazol-3-yl)methyl 2-hydroxy-2,2-diphenylacetate.

Molecular Properties

Compound Name(5-phenyl-1,2-oxazol-3-yl)methyl 2-hydroxy-2,2-diphenylacetate
PubChem CID8579182
Molecular FormulaC24H19NO4
Molecular Weight385.42 g/mol
Exact Mass385.13
IUPAC Name(5-phenyl-1,2-oxazol-3-yl)methyl 2-hydroxy-2,2-diphenylacetate
SMILESO=C(OCc1cc(-c2ccccc2)on1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H19NO4/c26-23(28-17-21-16-22(29-25-21)18-10-4-1-5-11-18)24(27,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-16,27H,17H2
InChIKeyZCXLHYLQLMSDDT-UHFFFAOYSA-N
XLogP4.32
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,2-oxazol-3-yl)methyl 2-hydroxy-2,2-diphenylacetate?
The IUPAC name of (5-phenyl-1,2-oxazol-3-yl)methyl 2-hydroxy-2,2-diphenylacetate (CID 8579182) is (5-phenyl-1,2-oxazol-3-yl)methyl 2-hydroxy-2,2-diphenylacetate.
What is the SMILES notation for (5-phenyl-1,2-oxazol-3-yl)methyl 2-hydroxy-2,2-diphenylacetate?
The canonical SMILES for (5-phenyl-1,2-oxazol-3-yl)methyl 2-hydroxy-2,2-diphenylacetate is O=C(OCc1cc(-c2ccccc2)on1)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (5-phenyl-1,2-oxazol-3-yl)methyl 2-hydroxy-2,2-diphenylacetate?
The InChIKey is ZCXLHYLQLMSDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO4/c26-23(28-17-21-16-22(29-25-21)18-10-4-1-5-11-18)24(27,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-16,27H,17H2.
What are the key properties of (5-phenyl-1,2-oxazol-3-yl)methyl 2-hydroxy-2,2-diphenylacetate?
(5-phenyl-1,2-oxazol-3-yl)methyl 2-hydroxy-2,2-diphenylacetate has a molecular weight of 385.42 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,2-oxazol-3-yl)methyl 2-hydroxy-2,2-diphenylacetate is sourced from PubChem (CID 8579182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).