[1,3]oxazolo[5,4-a]acridine

C14H8N2O — CID 176655511

IUPAC[1,3]oxazolo[5,4-a]acridine
SMILESc1ccc2nc3ccc4ncoc4c3cc2c1
InChIInChI=1S/C14H8N2O/c1-2-4-11-9(3-1)7-10-12(16-11)5-6-13-14(10)17-8-15-13/h1-8H
InChIKeyPIYJXQSQQKBBMS-UHFFFAOYSA-N
MW220.23 g/mol
LogP3.53
Rot. Bonds

About [1,3]oxazolo[5,4-a]acridine

[1,3]oxazolo[5,4-a]acridine (PubChem CID 176655511) has the molecular formula C14H8N2O and a molecular weight of 220.23 g/mol. Its IUPAC name is [1,3]oxazolo[5,4-a]acridine.

Molecular Properties

Compound Name[1,3]oxazolo[5,4-a]acridine
PubChem CID176655511
Molecular FormulaC14H8N2O
Molecular Weight220.23 g/mol
Exact Mass220.06
IUPAC Name[1,3]oxazolo[5,4-a]acridine
SMILESc1ccc2nc3ccc4ncoc4c3cc2c1
InChIInChI=1S/C14H8N2O/c1-2-4-11-9(3-1)7-10-12(16-11)5-6-13-14(10)17-8-15-13/h1-8H
InChIKeyPIYJXQSQQKBBMS-UHFFFAOYSA-N
XLogP3.53
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 53.53
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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Related Compounds

acridine
CID 21226281
acridine;methane
CID 21324126
acridine;iron
CID 158030240
acridine;sulfane
CID 159134653
acridine;dihydrate
CID 172843020
acridine;argon
CID 157415582
1,3-benzoxazole;naphthalene
CID 69020592
1-methylacridine;hydrochloride
CID 175333750
1-acridin-1-ylsulfanylacridine
CID 141380741
furo[2,3-g][1,3]benzoxazole
CID 45120277
acridine;ethane
CID 123684759
oxazepino[6,7-a]acridine
CID 154574061

Frequently Asked Questions

What is the IUPAC name of [1,3]oxazolo[5,4-a]acridine?
The IUPAC name of [1,3]oxazolo[5,4-a]acridine (CID 176655511) is [1,3]oxazolo[5,4-a]acridine.
What is the SMILES notation for [1,3]oxazolo[5,4-a]acridine?
The canonical SMILES for [1,3]oxazolo[5,4-a]acridine is c1ccc2nc3ccc4ncoc4c3cc2c1.
What is the InChIKey of [1,3]oxazolo[5,4-a]acridine?
The InChIKey is PIYJXQSQQKBBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N2O/c1-2-4-11-9(3-1)7-10-12(16-11)5-6-13-14(10)17-8-15-13/h1-8H.
What are the key properties of [1,3]oxazolo[5,4-a]acridine?
[1,3]oxazolo[5,4-a]acridine has a molecular weight of 220.23 g/mol, XLogP of 3.53, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3]oxazolo[5,4-a]acridine is sourced from PubChem (CID 176655511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).