2-(2-azidophenyl)-4-phenyl-5-propyl-1,3-oxazole

C18H16N4O — CID 122373186

IUPAC2-(2-azidophenyl)-4-phenyl-5-propyl-1,3-oxazole
SMILESCCCc1oc(-c2ccccc2N=[N+]=[N-])nc1-c1ccccc1
InChIInChI=1S/C18H16N4O/c1-2-8-16-17(13-9-4-3-5-10-13)20-18(23-16)14-11-6-7-12-15(14)21-22-19/h3-7,9-12H,2,8H2,1H3
InChIKeyHGDXOPBWZTVBEQ-UHFFFAOYSA-N
MW304.35 g/mol
LogP5.90
Rot. Bonds5

About 2-(2-azidophenyl)-4-phenyl-5-propyl-1,3-oxazole

2-(2-azidophenyl)-4-phenyl-5-propyl-1,3-oxazole (PubChem CID 122373186) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-(2-azidophenyl)-4-phenyl-5-propyl-1,3-oxazole.

Molecular Properties

Compound Name2-(2-azidophenyl)-4-phenyl-5-propyl-1,3-oxazole
PubChem CID122373186
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name2-(2-azidophenyl)-4-phenyl-5-propyl-1,3-oxazole
SMILESCCCc1oc(-c2ccccc2N=[N+]=[N-])nc1-c1ccccc1
InChIInChI=1S/C18H16N4O/c1-2-8-16-17(13-9-4-3-5-10-13)20-18(23-16)14-11-6-7-12-15(14)21-22-19/h3-7,9-12H,2,8H2,1H3
InChIKeyHGDXOPBWZTVBEQ-UHFFFAOYSA-N
XLogP5.90
TPSA74.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.35
LogP ≤ 55.90
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 2-(2-azidophenyl)-4-phenyl-5-propyl-1,3-oxazole?
The IUPAC name of 2-(2-azidophenyl)-4-phenyl-5-propyl-1,3-oxazole (CID 122373186) is 2-(2-azidophenyl)-4-phenyl-5-propyl-1,3-oxazole.
What is the SMILES notation for 2-(2-azidophenyl)-4-phenyl-5-propyl-1,3-oxazole?
The canonical SMILES for 2-(2-azidophenyl)-4-phenyl-5-propyl-1,3-oxazole is CCCc1oc(-c2ccccc2N=[N+]=[N-])nc1-c1ccccc1.
What is the InChIKey of 2-(2-azidophenyl)-4-phenyl-5-propyl-1,3-oxazole?
The InChIKey is HGDXOPBWZTVBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c1-2-8-16-17(13-9-4-3-5-10-13)20-18(23-16)14-11-6-7-12-15(14)21-22-19/h3-7,9-12H,2,8H2,1H3.
What are the key properties of 2-(2-azidophenyl)-4-phenyl-5-propyl-1,3-oxazole?
2-(2-azidophenyl)-4-phenyl-5-propyl-1,3-oxazole has a molecular weight of 304.35 g/mol, XLogP of 5.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azidophenyl)-4-phenyl-5-propyl-1,3-oxazole is sourced from PubChem (CID 122373186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).