acridine;1,3-oxazole

C16H12N2O — CID 158417273

IUPACacridine;1,3-oxazole
SMILESc1ccc2nc3ccccc3cc2c1.c1cocn1
InChIInChI=1S/C13H9N.C3H3NO/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;1-2-5-3-4-1/h1-9H;1-3H
InChIKeyHAAZRBXWBKVWEF-UHFFFAOYSA-N
MW248.29 g/mol
LogP4.06
Rot. Bonds

About acridine;1,3-oxazole

acridine;1,3-oxazole (PubChem CID 158417273) has the molecular formula C16H12N2O and a molecular weight of 248.29 g/mol. Its IUPAC name is acridine;1,3-oxazole.

Molecular Properties

Compound Nameacridine;1,3-oxazole
PubChem CID158417273
Molecular FormulaC16H12N2O
Molecular Weight248.29 g/mol
Exact Mass248.09
IUPAC Nameacridine;1,3-oxazole
SMILESc1ccc2nc3ccccc3cc2c1.c1cocn1
InChIInChI=1S/C13H9N.C3H3NO/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;1-2-5-3-4-1/h1-9H;1-3H
InChIKeyHAAZRBXWBKVWEF-UHFFFAOYSA-N
XLogP4.06
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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;1,3-oxazole?
The IUPAC name of acridine;1,3-oxazole (CID 158417273) is acridine;1,3-oxazole.
What is the SMILES notation for acridine;1,3-oxazole?
The canonical SMILES for acridine;1,3-oxazole is c1ccc2nc3ccccc3cc2c1.c1cocn1.
What is the InChIKey of acridine;1,3-oxazole?
The InChIKey is HAAZRBXWBKVWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N.C3H3NO/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;1-2-5-3-4-1/h1-9H;1-3H.
What are the key properties of acridine;1,3-oxazole?
acridine;1,3-oxazole has a molecular weight of 248.29 g/mol, XLogP of 4.06, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acridine;1,3-oxazole is sourced from PubChem (CID 158417273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).