5-azido-4-phenyl-1,2-oxazole

C9H6N4O — CID 10487780

IUPAC5-azido-4-phenyl-1,2-oxazole
SMILES[N-]=[N+]=Nc1oncc1-c1ccccc1
InChIInChI=1S/C9H6N4O/c10-13-12-9-8(6-11-14-9)7-4-2-1-3-5-7/h1-6H
InChIKeyZIBDYFQYPKSLBY-UHFFFAOYSA-N
MW186.17 g/mol
LogP3.28
Rot. Bonds2

About 5-azido-4-phenyl-1,2-oxazole

5-azido-4-phenyl-1,2-oxazole (PubChem CID 10487780) has the molecular formula C9H6N4O and a molecular weight of 186.17 g/mol. Its IUPAC name is 5-azido-4-phenyl-1,2-oxazole.

Molecular Properties

Compound Name5-azido-4-phenyl-1,2-oxazole
PubChem CID10487780
Molecular FormulaC9H6N4O
Molecular Weight186.17 g/mol
Exact Mass186.05
IUPAC Name5-azido-4-phenyl-1,2-oxazole
SMILES[N-]=[N+]=Nc1oncc1-c1ccccc1
InChIInChI=1S/C9H6N4O/c10-13-12-9-8(6-11-14-9)7-4-2-1-3-5-7/h1-6H
InChIKeyZIBDYFQYPKSLBY-UHFFFAOYSA-N
XLogP3.28
TPSA74.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 53.28
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'}

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Frequently Asked Questions

What is the IUPAC name of 5-azido-4-phenyl-1,2-oxazole?
The IUPAC name of 5-azido-4-phenyl-1,2-oxazole (CID 10487780) is 5-azido-4-phenyl-1,2-oxazole.
What is the SMILES notation for 5-azido-4-phenyl-1,2-oxazole?
The canonical SMILES for 5-azido-4-phenyl-1,2-oxazole is [N-]=[N+]=Nc1oncc1-c1ccccc1.
What is the InChIKey of 5-azido-4-phenyl-1,2-oxazole?
The InChIKey is ZIBDYFQYPKSLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N4O/c10-13-12-9-8(6-11-14-9)7-4-2-1-3-5-7/h1-6H.
What are the key properties of 5-azido-4-phenyl-1,2-oxazole?
5-azido-4-phenyl-1,2-oxazole has a molecular weight of 186.17 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-azido-4-phenyl-1,2-oxazole is sourced from PubChem (CID 10487780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).