acridine;oxadiazole

C15H11N3O — CID 174728574

IUPACacridine;oxadiazole
SMILESc1ccc2nc3ccccc3cc2c1.c1conn1
InChIInChI=1S/C13H9N.C2H2N2O/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;1-2-5-4-3-1/h1-9H;1-2H
InChIKeyUTUYZWLQXQLVBP-UHFFFAOYSA-N
MW249.27 g/mol
LogP3.46
Rot. Bonds

About acridine;oxadiazole

acridine;oxadiazole (PubChem CID 174728574) has the molecular formula C15H11N3O and a molecular weight of 249.27 g/mol. Its IUPAC name is acridine;oxadiazole.

Molecular Properties

Compound Nameacridine;oxadiazole
PubChem CID174728574
Molecular FormulaC15H11N3O
Molecular Weight249.27 g/mol
Exact Mass249.09
IUPAC Nameacridine;oxadiazole
SMILESc1ccc2nc3ccccc3cc2c1.c1conn1
InChIInChI=1S/C13H9N.C2H2N2O/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;1-2-5-4-3-1/h1-9H;1-2H
InChIKeyUTUYZWLQXQLVBP-UHFFFAOYSA-N
XLogP3.46
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of acridine;oxadiazole?
The IUPAC name of acridine;oxadiazole (CID 174728574) is acridine;oxadiazole.
What is the SMILES notation for acridine;oxadiazole?
The canonical SMILES for acridine;oxadiazole is c1ccc2nc3ccccc3cc2c1.c1conn1.
What is the InChIKey of acridine;oxadiazole?
The InChIKey is UTUYZWLQXQLVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N.C2H2N2O/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;1-2-5-4-3-1/h1-9H;1-2H.
What are the key properties of acridine;oxadiazole?
acridine;oxadiazole has a molecular weight of 249.27 g/mol, XLogP of 3.46, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acridine;oxadiazole is sourced from PubChem (CID 174728574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).