Molecule card · MolClass #2389
2-(4-methoxyphenyl)-1,3-benzoxazole
2-(4-methoxyphenyl)-1,3-benzoxazole: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 2-(4-methoxyphenyl)-1,3-benzoxazoleCompound accumulation in C. elegans · compound_name
- MolClass ID
- 2389
- InChIKey
- RAPOAMGKAJWGHU-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccc(cc1)c2nc3ccccc3(o2)
- Standard InChI
- InChI=1S/C14H11NO2/c1-16-11-8-6-10(7-9-11)14-15-12-4-2-3-5-13(12)17-14/h2-9H,1H3
- Stored Murcko scaffold
- n1c(oc2ccccc12)-c3ccccc3
Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.
Molecules with the same Murcko scaffold
Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.
- 131862-19-6#2665
- 131862-20-9#2727
- 835-71-2#3006
- 835-64-3#3812
- 833-50-1#4413
- 32959-60-7#5050
- 1141-35-1#5472
- 14625-58-2#7047
- 22868-29-7#7283
- 888125#10635
- 879560#10642
- 1723668#13096
- 1438838#13361
- 1250822#13371
- 1207097#13413
- 1229593#13426
- 1239560#13471
- 1531666#13513
- 1709602#13518
- 1493717#18147
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 35.26 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 225.243 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.075
- CDK 2.12 · 2026-08-19
Saved model predictions
Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.
No saved predictions yet. Explore classification models to choose a prediction.
Source datasets
Dataset registrations and identifiers stored in MolClass.
Compound accumulation in C. elegans
Dataset #4 · 17.0923842227549