(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(9-oxoacridin-10-yl)acetate

C24H17N3O4 — CID 16587380

IUPAC(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(9-oxoacridin-10-yl)acetate
SMILESO=C(Cn1c2ccccc2c(=O)c2ccccc21)OCc1nnc(-c2ccccc2)o1
InChIInChI=1S/C24H17N3O4/c28-22(30-15-21-25-26-24(31-21)16-8-2-1-3-9-16)14-27-19-12-6-4-10-17(19)23(29)18-11-5-7-13-20(18)27/h1-13H,14-15H2
InChIKeyJJDZIODWBMTWPH-UHFFFAOYSA-N
MW411.42 g/mol
LogP3.95
Rot. Bonds5

About (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(9-oxoacridin-10-yl)acetate

(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(9-oxoacridin-10-yl)acetate (PubChem CID 16587380) has the molecular formula C24H17N3O4 and a molecular weight of 411.42 g/mol. Its IUPAC name is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(9-oxoacridin-10-yl)acetate.

Molecular Properties

Compound Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(9-oxoacridin-10-yl)acetate
PubChem CID16587380
Molecular FormulaC24H17N3O4
Molecular Weight411.42 g/mol
Exact Mass411.12
IUPAC Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(9-oxoacridin-10-yl)acetate
SMILESO=C(Cn1c2ccccc2c(=O)c2ccccc21)OCc1nnc(-c2ccccc2)o1
InChIInChI=1S/C24H17N3O4/c28-22(30-15-21-25-26-24(31-21)16-8-2-1-3-9-16)14-27-19-12-6-4-10-17(19)23(29)18-11-5-7-13-20(18)27/h1-13H,14-15H2
InChIKeyJJDZIODWBMTWPH-UHFFFAOYSA-N
XLogP3.95
TPSA87.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.42
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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 (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(9-oxoacridin-10-yl)acetate?
The IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(9-oxoacridin-10-yl)acetate (CID 16587380) is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(9-oxoacridin-10-yl)acetate.
What is the SMILES notation for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(9-oxoacridin-10-yl)acetate?
The canonical SMILES for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(9-oxoacridin-10-yl)acetate is O=C(Cn1c2ccccc2c(=O)c2ccccc21)OCc1nnc(-c2ccccc2)o1.
What is the InChIKey of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(9-oxoacridin-10-yl)acetate?
The InChIKey is JJDZIODWBMTWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O4/c28-22(30-15-21-25-26-24(31-21)16-8-2-1-3-9-16)14-27-19-12-6-4-10-17(19)23(29)18-11-5-7-13-20(18)27/h1-13H,14-15H2.
What are the key properties of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(9-oxoacridin-10-yl)acetate?
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(9-oxoacridin-10-yl)acetate has a molecular weight of 411.42 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(9-oxoacridin-10-yl)acetate is sourced from PubChem (CID 16587380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).