5,5-diphenyl-4H-1,2-oxazole

C15H13NO — CID 66815143

IUPAC5,5-diphenyl-4H-1,2-oxazole
SMILESC1=NOC(c2ccccc2)(c2ccccc2)C1
InChIInChI=1S/C15H13NO/c1-3-7-13(8-4-1)15(11-12-16-17-15)14-9-5-2-6-10-14/h1-10,12H,11H2
InChIKeyHBKYAOKILJHVHD-UHFFFAOYSA-N
MW223.28 g/mol
LogP3.34
Rot. Bonds2

About 5,5-diphenyl-4H-1,2-oxazole

5,5-diphenyl-4H-1,2-oxazole (PubChem CID 66815143) has the molecular formula C15H13NO and a molecular weight of 223.28 g/mol. Its IUPAC name is 5,5-diphenyl-4H-1,2-oxazole.

Molecular Properties

Compound Name5,5-diphenyl-4H-1,2-oxazole
PubChem CID66815143
Molecular FormulaC15H13NO
Molecular Weight223.28 g/mol
Exact Mass223.10
IUPAC Name5,5-diphenyl-4H-1,2-oxazole
SMILESC1=NOC(c2ccccc2)(c2ccccc2)C1
InChIInChI=1S/C15H13NO/c1-3-7-13(8-4-1)15(11-12-16-17-15)14-9-5-2-6-10-14/h1-10,12H,11H2
InChIKeyHBKYAOKILJHVHD-UHFFFAOYSA-N
XLogP3.34
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-diphenyl-4H-1,2-oxazole?
The IUPAC name of 5,5-diphenyl-4H-1,2-oxazole (CID 66815143) is 5,5-diphenyl-4H-1,2-oxazole.
What is the SMILES notation for 5,5-diphenyl-4H-1,2-oxazole?
The canonical SMILES for 5,5-diphenyl-4H-1,2-oxazole is C1=NOC(c2ccccc2)(c2ccccc2)C1.
What is the InChIKey of 5,5-diphenyl-4H-1,2-oxazole?
The InChIKey is HBKYAOKILJHVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO/c1-3-7-13(8-4-1)15(11-12-16-17-15)14-9-5-2-6-10-14/h1-10,12H,11H2.
What are the key properties of 5,5-diphenyl-4H-1,2-oxazole?
5,5-diphenyl-4H-1,2-oxazole has a molecular weight of 223.28 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diphenyl-4H-1,2-oxazole is sourced from PubChem (CID 66815143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).