4-acridin-1-yloxadiazole

C15H9N3O — CID 174728572

IUPAC4-acridin-1-yloxadiazole
SMILESc1ccc2nc3cccc(-c4conn4)c3cc2c1
InChIInChI=1S/C15H9N3O/c1-2-6-13-10(4-1)8-12-11(15-9-19-18-17-15)5-3-7-14(12)16-13/h1-9H
InChIKeySEDCWXZPCIYPRG-UHFFFAOYSA-N
MW247.26 g/mol
LogP3.44
Rot. Bonds1

About 4-acridin-1-yloxadiazole

4-acridin-1-yloxadiazole (PubChem CID 174728572) has the molecular formula C15H9N3O and a molecular weight of 247.26 g/mol. Its IUPAC name is 4-acridin-1-yloxadiazole.

Molecular Properties

Compound Name4-acridin-1-yloxadiazole
PubChem CID174728572
Molecular FormulaC15H9N3O
Molecular Weight247.26 g/mol
Exact Mass247.07
IUPAC Name4-acridin-1-yloxadiazole
SMILESc1ccc2nc3cccc(-c4conn4)c3cc2c1
InChIInChI=1S/C15H9N3O/c1-2-6-13-10(4-1)8-12-11(15-9-19-18-17-15)5-3-7-14(12)16-13/h1-9H
InChIKeySEDCWXZPCIYPRG-UHFFFAOYSA-N
XLogP3.44
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 53.44
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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Related Compounds

4-quinolin-2-yloxadiazole
CID 18990797
4-quinolin-3-yloxadiazole
CID 91189837
1-naphthalen-2-ylacridine
CID 91364116
1-(1H-pyrazol-5-yl)acridine
CID 141081255
1-(2-bromonaphthalen-1-yl)acridine
CID 175119023
acridine
CID 21226281
4-[2,3-bis[(E)-2-phenylethenyl]phenyl]oxadiazole
CID 20515573
1-methylacridine;hydrochloride
CID 175333750
1-acridin-1-ylsulfanylacridine
CID 141380741
1,3-diphenylacridine
CID 139708395
10-phenyl-5,20-diazaheptacyclo[16.12.0.03,16.04,13.06,11.019,28.021,26]triaconta-1(18),2,4,6,8,10,12,14,16,19,21,23,25,27,29-pentadecaene
CID 141282309
acridine-1-carbothioamide
CID 154008733

Frequently Asked Questions

What is the IUPAC name of 4-acridin-1-yloxadiazole?
The IUPAC name of 4-acridin-1-yloxadiazole (CID 174728572) is 4-acridin-1-yloxadiazole.
What is the SMILES notation for 4-acridin-1-yloxadiazole?
The canonical SMILES for 4-acridin-1-yloxadiazole is c1ccc2nc3cccc(-c4conn4)c3cc2c1.
What is the InChIKey of 4-acridin-1-yloxadiazole?
The InChIKey is SEDCWXZPCIYPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N3O/c1-2-6-13-10(4-1)8-12-11(15-9-19-18-17-15)5-3-7-14(12)16-13/h1-9H.
What are the key properties of 4-acridin-1-yloxadiazole?
4-acridin-1-yloxadiazole has a molecular weight of 247.26 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acridin-1-yloxadiazole is sourced from PubChem (CID 174728572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).