5-(phenoxymethyl)-3-phenyl-1,2-oxazole

C16H13NO2 — CID 1480808

IUPAC5-(phenoxymethyl)-3-phenyl-1,2-oxazole
SMILESc1ccc(OCc2cc(-c3ccccc3)no2)cc1
InChIInChI=1S/C16H13NO2/c1-3-7-13(8-4-1)16-11-15(19-17-16)12-18-14-9-5-2-6-10-14/h1-11H,12H2
InChIKeyHORAKMNOIUCEJM-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.92
Rot. Bonds4

About 5-(phenoxymethyl)-3-phenyl-1,2-oxazole

5-(phenoxymethyl)-3-phenyl-1,2-oxazole (PubChem CID 1480808) has the molecular formula C16H13NO2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 5-(phenoxymethyl)-3-phenyl-1,2-oxazole.

Molecular Properties

Compound Name5-(phenoxymethyl)-3-phenyl-1,2-oxazole
PubChem CID1480808
Molecular FormulaC16H13NO2
Molecular Weight251.29 g/mol
Exact Mass251.09
IUPAC Name5-(phenoxymethyl)-3-phenyl-1,2-oxazole
SMILESc1ccc(OCc2cc(-c3ccccc3)no2)cc1
InChIInChI=1S/C16H13NO2/c1-3-7-13(8-4-1)16-11-15(19-17-16)12-18-14-9-5-2-6-10-14/h1-11H,12H2
InChIKeyHORAKMNOIUCEJM-UHFFFAOYSA-N
XLogP3.92
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(phenoxymethyl)-3-phenyl-1,2-oxazole?
The IUPAC name of 5-(phenoxymethyl)-3-phenyl-1,2-oxazole (CID 1480808) is 5-(phenoxymethyl)-3-phenyl-1,2-oxazole.
What is the SMILES notation for 5-(phenoxymethyl)-3-phenyl-1,2-oxazole?
The canonical SMILES for 5-(phenoxymethyl)-3-phenyl-1,2-oxazole is c1ccc(OCc2cc(-c3ccccc3)no2)cc1.
What is the InChIKey of 5-(phenoxymethyl)-3-phenyl-1,2-oxazole?
The InChIKey is HORAKMNOIUCEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c1-3-7-13(8-4-1)16-11-15(19-17-16)12-18-14-9-5-2-6-10-14/h1-11H,12H2.
What are the key properties of 5-(phenoxymethyl)-3-phenyl-1,2-oxazole?
5-(phenoxymethyl)-3-phenyl-1,2-oxazole has a molecular weight of 251.29 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(phenoxymethyl)-3-phenyl-1,2-oxazole is sourced from PubChem (CID 1480808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).