3-phenyl-4-phenyldiazenyl-2H-1,2-oxazol-5-one

C15H11N3O2 — CID 561619

IUPAC3-phenyl-4-phenyldiazenyl-2H-1,2-oxazol-5-one
SMILESO=c1o[nH]c(-c2ccccc2)c1/N=N/c1ccccc1
InChIInChI=1S/C15H11N3O2/c19-15-14(17-16-12-9-5-2-6-10-12)13(18-20-15)11-7-3-1-4-8-11/h1-10,18H/b17-16+
InChIKeyHACYXHLCXGUDPK-WUKNDPDISA-N
MW265.27 g/mol
LogP4.05
Rot. Bonds3

About 3-phenyl-4-phenyldiazenyl-2H-1,2-oxazol-5-one

3-phenyl-4-phenyldiazenyl-2H-1,2-oxazol-5-one (PubChem CID 561619) has the molecular formula C15H11N3O2 and a molecular weight of 265.27 g/mol. Its IUPAC name is 3-phenyl-4-phenyldiazenyl-2H-1,2-oxazol-5-one.

Molecular Properties

Compound Name3-phenyl-4-phenyldiazenyl-2H-1,2-oxazol-5-one
PubChem CID561619
Molecular FormulaC15H11N3O2
Molecular Weight265.27 g/mol
Exact Mass265.09
IUPAC Name3-phenyl-4-phenyldiazenyl-2H-1,2-oxazol-5-one
SMILESO=c1o[nH]c(-c2ccccc2)c1/N=N/c1ccccc1
InChIInChI=1S/C15H11N3O2/c19-15-14(17-16-12-9-5-2-6-10-12)13(18-20-15)11-7-3-1-4-8-11/h1-10,18H/b17-16+
InChIKeyHACYXHLCXGUDPK-WUKNDPDISA-N
XLogP4.05
TPSA70.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-4-phenyldiazenyl-2H-1,2-oxazol-5-one?
The IUPAC name of 3-phenyl-4-phenyldiazenyl-2H-1,2-oxazol-5-one (CID 561619) is 3-phenyl-4-phenyldiazenyl-2H-1,2-oxazol-5-one.
What is the SMILES notation for 3-phenyl-4-phenyldiazenyl-2H-1,2-oxazol-5-one?
The canonical SMILES for 3-phenyl-4-phenyldiazenyl-2H-1,2-oxazol-5-one is O=c1o[nH]c(-c2ccccc2)c1/N=N/c1ccccc1.
What is the InChIKey of 3-phenyl-4-phenyldiazenyl-2H-1,2-oxazol-5-one?
The InChIKey is HACYXHLCXGUDPK-WUKNDPDISA-N. The full InChI is InChI=1S/C15H11N3O2/c19-15-14(17-16-12-9-5-2-6-10-12)13(18-20-15)11-7-3-1-4-8-11/h1-10,18H/b17-16+.
What are the key properties of 3-phenyl-4-phenyldiazenyl-2H-1,2-oxazol-5-one?
3-phenyl-4-phenyldiazenyl-2H-1,2-oxazol-5-one has a molecular weight of 265.27 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-4-phenyldiazenyl-2H-1,2-oxazol-5-one is sourced from PubChem (CID 561619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).