3,5,5-triphenyl-4H-1,2-oxazole

C21H17NO — CID 1205479

IUPAC3,5,5-triphenyl-4H-1,2-oxazole
SMILESc1ccc(C2=NOC(c3ccccc3)(c3ccccc3)C2)cc1
InChIInChI=1S/C21H17NO/c1-4-10-17(11-5-1)20-16-21(23-22-20,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H,16H2
InChIKeyOLZDHCLFULGMCF-UHFFFAOYSA-N
MW299.37 g/mol
LogP4.75
Rot. Bonds3

About 3,5,5-triphenyl-4H-1,2-oxazole

3,5,5-triphenyl-4H-1,2-oxazole (PubChem CID 1205479) has the molecular formula C21H17NO and a molecular weight of 299.37 g/mol. Its IUPAC name is 3,5,5-triphenyl-4H-1,2-oxazole.

Molecular Properties

Compound Name3,5,5-triphenyl-4H-1,2-oxazole
PubChem CID1205479
Molecular FormulaC21H17NO
Molecular Weight299.37 g/mol
Exact Mass299.13
IUPAC Name3,5,5-triphenyl-4H-1,2-oxazole
SMILESc1ccc(C2=NOC(c3ccccc3)(c3ccccc3)C2)cc1
InChIInChI=1S/C21H17NO/c1-4-10-17(11-5-1)20-16-21(23-22-20,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H,16H2
InChIKeyOLZDHCLFULGMCF-UHFFFAOYSA-N
XLogP4.75
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5,5-triphenyl-4H-1,2-oxazole?
The IUPAC name of 3,5,5-triphenyl-4H-1,2-oxazole (CID 1205479) is 3,5,5-triphenyl-4H-1,2-oxazole.
What is the SMILES notation for 3,5,5-triphenyl-4H-1,2-oxazole?
The canonical SMILES for 3,5,5-triphenyl-4H-1,2-oxazole is c1ccc(C2=NOC(c3ccccc3)(c3ccccc3)C2)cc1.
What is the InChIKey of 3,5,5-triphenyl-4H-1,2-oxazole?
The InChIKey is OLZDHCLFULGMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO/c1-4-10-17(11-5-1)20-16-21(23-22-20,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H,16H2.
What are the key properties of 3,5,5-triphenyl-4H-1,2-oxazole?
3,5,5-triphenyl-4H-1,2-oxazole has a molecular weight of 299.37 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,5-triphenyl-4H-1,2-oxazole is sourced from PubChem (CID 1205479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).