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

C15H13NO — CID 57257515

IUPAC3,4-diphenyl-2,5-dihydro-1,2-oxazole
SMILESc1ccc(C2=C(c3ccccc3)NOC2)cc1
InChIInChI=1S/C15H13NO/c1-3-7-12(8-4-1)14-11-17-16-15(14)13-9-5-2-6-10-13/h1-10,16H,11H2
InChIKeyKYAUCOGDQPBUQA-UHFFFAOYSA-N
MW223.28 g/mol
LogP3.09
Rot. Bonds2

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

3,4-diphenyl-2,5-dihydro-1,2-oxazole (PubChem CID 57257515) has the molecular formula C15H13NO and a molecular weight of 223.28 g/mol. Its IUPAC name is 3,4-diphenyl-2,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3,4-diphenyl-2,5-dihydro-1,2-oxazole
PubChem CID57257515
Molecular FormulaC15H13NO
Molecular Weight223.28 g/mol
Exact Mass223.10
IUPAC Name3,4-diphenyl-2,5-dihydro-1,2-oxazole
SMILESc1ccc(C2=C(c3ccccc3)NOC2)cc1
InChIInChI=1S/C15H13NO/c1-3-7-12(8-4-1)14-11-17-16-15(14)13-9-5-2-6-10-13/h1-10,16H,11H2
InChIKeyKYAUCOGDQPBUQA-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'}

Analyze 3,4-diphenyl-2,5-dihydro-1,2-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,4-diphenyl-2,5-dihydro-1,2-oxazole?
The IUPAC name of 3,4-diphenyl-2,5-dihydro-1,2-oxazole (CID 57257515) is 3,4-diphenyl-2,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3,4-diphenyl-2,5-dihydro-1,2-oxazole?
The canonical SMILES for 3,4-diphenyl-2,5-dihydro-1,2-oxazole is c1ccc(C2=C(c3ccccc3)NOC2)cc1.
What is the InChIKey of 3,4-diphenyl-2,5-dihydro-1,2-oxazole?
The InChIKey is KYAUCOGDQPBUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO/c1-3-7-12(8-4-1)14-11-17-16-15(14)13-9-5-2-6-10-13/h1-10,16H,11H2.
What are the key properties of 3,4-diphenyl-2,5-dihydro-1,2-oxazole?
3,4-diphenyl-2,5-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 3,4-diphenyl-2,5-dihydro-1,2-oxazole is sourced from PubChem (CID 57257515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).