2-phenylphenanthro[9,10-d][1,3]oxazole

C21H13NO — CID 626439

IUPAC2-phenylphenanthro[9,10-d][1,3]oxazole
SMILESc1ccc(-c2nc3c4ccccc4c4ccccc4c3o2)cc1
InChIInChI=1S/C21H13NO/c1-2-8-14(9-3-1)21-22-19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)20(19)23-21/h1-13H
InChIKeyHXWOJSCJYXVNPK-UHFFFAOYSA-N
MW295.34 g/mol
LogP5.80
Rot. Bonds1

About 2-phenylphenanthro[9,10-d][1,3]oxazole

2-phenylphenanthro[9,10-d][1,3]oxazole (PubChem CID 626439) has the molecular formula C21H13NO and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-phenylphenanthro[9,10-d][1,3]oxazole.

Molecular Properties

Compound Name2-phenylphenanthro[9,10-d][1,3]oxazole
PubChem CID626439
Molecular FormulaC21H13NO
Molecular Weight295.34 g/mol
Exact Mass295.10
IUPAC Name2-phenylphenanthro[9,10-d][1,3]oxazole
SMILESc1ccc(-c2nc3c4ccccc4c4ccccc4c3o2)cc1
InChIInChI=1S/C21H13NO/c1-2-8-14(9-3-1)21-22-19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)20(19)23-21/h1-13H
InChIKeyHXWOJSCJYXVNPK-UHFFFAOYSA-N
XLogP5.80
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.34
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-phenylphenanthro[9,10-d][1,3]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 2-phenylphenanthro[9,10-d][1,3]oxazole?
The IUPAC name of 2-phenylphenanthro[9,10-d][1,3]oxazole (CID 626439) is 2-phenylphenanthro[9,10-d][1,3]oxazole.
What is the SMILES notation for 2-phenylphenanthro[9,10-d][1,3]oxazole?
The canonical SMILES for 2-phenylphenanthro[9,10-d][1,3]oxazole is c1ccc(-c2nc3c4ccccc4c4ccccc4c3o2)cc1.
What is the InChIKey of 2-phenylphenanthro[9,10-d][1,3]oxazole?
The InChIKey is HXWOJSCJYXVNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13NO/c1-2-8-14(9-3-1)21-22-19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)20(19)23-21/h1-13H.
What are the key properties of 2-phenylphenanthro[9,10-d][1,3]oxazole?
2-phenylphenanthro[9,10-d][1,3]oxazole has a molecular weight of 295.34 g/mol, XLogP of 5.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylphenanthro[9,10-d][1,3]oxazole is sourced from PubChem (CID 626439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).