4,5-diphenyl-2,3-dihydro-1,2-oxazole

C15H13NO — CID 69408451

IUPAC4,5-diphenyl-2,3-dihydro-1,2-oxazole
SMILESc1ccc(C2=C(c3ccccc3)ONC2)cc1
InChIInChI=1S/C15H13NO/c1-3-7-12(8-4-1)14-11-16-17-15(14)13-9-5-2-6-10-13/h1-10,16H,11H2
InChIKeyNBTWQTROXYAZID-UHFFFAOYSA-N
MW223.28 g/mol
LogP3.09
Rot. Bonds2

About 4,5-diphenyl-2,3-dihydro-1,2-oxazole

4,5-diphenyl-2,3-dihydro-1,2-oxazole (PubChem CID 69408451) has the molecular formula C15H13NO and a molecular weight of 223.28 g/mol. Its IUPAC name is 4,5-diphenyl-2,3-dihydro-1,2-oxazole.

Molecular Properties

Compound Name4,5-diphenyl-2,3-dihydro-1,2-oxazole
PubChem CID69408451
Molecular FormulaC15H13NO
Molecular Weight223.28 g/mol
Exact Mass223.10
IUPAC Name4,5-diphenyl-2,3-dihydro-1,2-oxazole
SMILESc1ccc(C2=C(c3ccccc3)ONC2)cc1
InChIInChI=1S/C15H13NO/c1-3-7-12(8-4-1)14-11-16-17-15(14)13-9-5-2-6-10-13/h1-10,16H,11H2
InChIKeyNBTWQTROXYAZID-UHFFFAOYSA-N
XLogP3.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,5-diphenyl-2,3-dihydro-1,2-oxazole?
The IUPAC name of 4,5-diphenyl-2,3-dihydro-1,2-oxazole (CID 69408451) is 4,5-diphenyl-2,3-dihydro-1,2-oxazole.
What is the SMILES notation for 4,5-diphenyl-2,3-dihydro-1,2-oxazole?
The canonical SMILES for 4,5-diphenyl-2,3-dihydro-1,2-oxazole is c1ccc(C2=C(c3ccccc3)ONC2)cc1.
What is the InChIKey of 4,5-diphenyl-2,3-dihydro-1,2-oxazole?
The InChIKey is NBTWQTROXYAZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO/c1-3-7-12(8-4-1)14-11-16-17-15(14)13-9-5-2-6-10-13/h1-10,16H,11H2.
What are the key properties of 4,5-diphenyl-2,3-dihydro-1,2-oxazole?
4,5-diphenyl-2,3-dihydro-1,2-oxazole has a molecular weight of 223.28 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diphenyl-2,3-dihydro-1,2-oxazole is sourced from PubChem (CID 69408451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).