3-(4-azidophenyl)-4-phenyl-2H-furan-5-one

C16H11N3O2 — CID 10084869

IUPAC3-(4-azidophenyl)-4-phenyl-2H-furan-5-one
SMILES[N-]=[N+]=Nc1ccc(C2=C(c3ccccc3)C(=O)OC2)cc1
InChIInChI=1S/C16H11N3O2/c17-19-18-13-8-6-11(7-9-13)14-10-21-16(20)15(14)12-4-2-1-3-5-12/h1-9H,10H2
InChIKeyAPCWFZNDCFEDOA-UHFFFAOYSA-N
MW277.28 g/mol
LogP4.10
Rot. Bonds3

About 3-(4-azidophenyl)-4-phenyl-2H-furan-5-one

3-(4-azidophenyl)-4-phenyl-2H-furan-5-one (PubChem CID 10084869) has the molecular formula C16H11N3O2 and a molecular weight of 277.28 g/mol. Its IUPAC name is 3-(4-azidophenyl)-4-phenyl-2H-furan-5-one.

Molecular Properties

Compound Name3-(4-azidophenyl)-4-phenyl-2H-furan-5-one
PubChem CID10084869
Molecular FormulaC16H11N3O2
Molecular Weight277.28 g/mol
Exact Mass277.09
IUPAC Name3-(4-azidophenyl)-4-phenyl-2H-furan-5-one
SMILES[N-]=[N+]=Nc1ccc(C2=C(c3ccccc3)C(=O)OC2)cc1
InChIInChI=1S/C16H11N3O2/c17-19-18-13-8-6-11(7-9-13)14-10-21-16(20)15(14)12-4-2-1-3-5-12/h1-9H,10H2
InChIKeyAPCWFZNDCFEDOA-UHFFFAOYSA-N
XLogP4.10
TPSA75.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 3-(4-azidophenyl)-4-phenyl-2H-furan-5-one 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-azidophenyl)-4-phenyl-2H-furan-5-one?
The IUPAC name of 3-(4-azidophenyl)-4-phenyl-2H-furan-5-one (CID 10084869) is 3-(4-azidophenyl)-4-phenyl-2H-furan-5-one.
What is the SMILES notation for 3-(4-azidophenyl)-4-phenyl-2H-furan-5-one?
The canonical SMILES for 3-(4-azidophenyl)-4-phenyl-2H-furan-5-one is [N-]=[N+]=Nc1ccc(C2=C(c3ccccc3)C(=O)OC2)cc1.
What is the InChIKey of 3-(4-azidophenyl)-4-phenyl-2H-furan-5-one?
The InChIKey is APCWFZNDCFEDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O2/c17-19-18-13-8-6-11(7-9-13)14-10-21-16(20)15(14)12-4-2-1-3-5-12/h1-9H,10H2.
What are the key properties of 3-(4-azidophenyl)-4-phenyl-2H-furan-5-one?
3-(4-azidophenyl)-4-phenyl-2H-furan-5-one has a molecular weight of 277.28 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-azidophenyl)-4-phenyl-2H-furan-5-one is sourced from PubChem (CID 10084869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).