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3-[3-(4-Tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-2,4-dimethyl-1,2-oxazol-5-one
ID: ALA1326315
Max Phase: Preclinical
Molecular Formula: C17H19N3O3
Molecular Weight: 313.36
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1c(-c2nc(-c3ccc(C(C)(C)C)cc3)no2)n(C)oc1=O
Standard InChI: InChI=1S/C17H19N3O3/c1-10-13(20(5)23-16(10)21)15-18-14(19-22-15)11-6-8-12(9-7-11)17(2,3)4/h6-9H,1-5H3
Standard InChI Key: SSHFVWOULVUDFW-UHFFFAOYSA-N
Associated Targets(Human)
Associated Targets(non-human)
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | Topical: No | First In Class: No | Black Box: No |
| Chirality: No | Availability: No | Prodrug: No |
Drug Indications
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 313.36 | Molecular Weight (Monoisotopic): 313.1426 | AlogP: 3.30 | #Rotatable Bonds: 2 |
| Polar Surface Area: 74.06 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 3.58 | CX LogD: 3.58 |
| Aromatic Rings: 3 | Heavy Atoms: 23 | QED Weighted: 0.73 | Np Likeness Score: -1.28 |
References
| 1. PubChem BioAssay data set, |
| 2. (2014) Agents and methods for treating ischemic and other diseases, |
