10-[[1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methyl]acridin-9-one

C26H20N6O2 — CID 118796680

IUPAC10-[[1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methyl]acridin-9-one
SMILESCc1ccc(-c2noc(Cn3cc(Cn4c5ccccc5c(=O)c5ccccc54)nn3)n2)cc1
InChIInChI=1S/C26H20N6O2/c1-17-10-12-18(13-11-17)26-27-24(34-29-26)16-31-14-19(28-30-31)15-32-22-8-4-2-6-20(22)25(33)21-7-3-5-9-23(21)32/h2-14H,15-16H2,1H3
InChIKeyVIFZAYVVOXUEPB-UHFFFAOYSA-N
MW448.49 g/mol
LogP4.20
Rot. Bonds5

About 10-[[1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methyl]acridin-9-one

10-[[1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methyl]acridin-9-one (PubChem CID 118796680) has the molecular formula C26H20N6O2 and a molecular weight of 448.49 g/mol. Its IUPAC name is 10-[[1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methyl]acridin-9-one.

Molecular Properties

Compound Name10-[[1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methyl]acridin-9-one
PubChem CID118796680
Molecular FormulaC26H20N6O2
Molecular Weight448.49 g/mol
Exact Mass448.16
IUPAC Name10-[[1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methyl]acridin-9-one
SMILESCc1ccc(-c2noc(Cn3cc(Cn4c5ccccc5c(=O)c5ccccc54)nn3)n2)cc1
InChIInChI=1S/C26H20N6O2/c1-17-10-12-18(13-11-17)26-27-24(34-29-26)16-31-14-19(28-30-31)15-32-22-8-4-2-6-20(22)25(33)21-7-3-5-9-23(21)32/h2-14H,15-16H2,1H3
InChIKeyVIFZAYVVOXUEPB-UHFFFAOYSA-N
XLogP4.20
TPSA91.63 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.49
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

5-[[4-(bromomethyl)triazol-1-yl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 62401990
[1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanol
CID 62401112
1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]triazole-4-carbaldehyde
CID 66215802
[1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanol
CID 62399980
10-[(1-benzyltriazol-4-yl)methyl]-2-methoxyacridin-9-one
CID 118732412
[1-[[3-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanamine
CID 107916389
1-ethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]quinolin-4-one
CID 53086934
10-[2-oxo-2-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethyl]acridin-9-one
CID 37249746
1,3-dimethyl-5-[[1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]indol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 171988460
3-cyclopropyl-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]quinazoline-2,4-dione
CID 131703502
1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2,5-dione
CID 24687028
3-[5-[[4-(aminomethyl)triazol-1-yl]methyl]-1,2,4-oxadiazol-3-yl]phenol
CID 107921120

Frequently Asked Questions

What is the IUPAC name of 10-[[1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methyl]acridin-9-one?
The IUPAC name of 10-[[1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methyl]acridin-9-one (CID 118796680) is 10-[[1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methyl]acridin-9-one.
What is the SMILES notation for 10-[[1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methyl]acridin-9-one?
The canonical SMILES for 10-[[1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methyl]acridin-9-one is Cc1ccc(-c2noc(Cn3cc(Cn4c5ccccc5c(=O)c5ccccc54)nn3)n2)cc1.
What is the InChIKey of 10-[[1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methyl]acridin-9-one?
The InChIKey is VIFZAYVVOXUEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N6O2/c1-17-10-12-18(13-11-17)26-27-24(34-29-26)16-31-14-19(28-30-31)15-32-22-8-4-2-6-20(22)25(33)21-7-3-5-9-23(21)32/h2-14H,15-16H2,1H3.
What are the key properties of 10-[[1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methyl]acridin-9-one?
10-[[1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methyl]acridin-9-one has a molecular weight of 448.49 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[[1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methyl]acridin-9-one is sourced from PubChem (CID 118796680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).