5-(1H-indol-2-yl)oxazole
Basic information
- CAS
84978-69-8- Standard SMILES
c1ccc2[nH]c(-c3cnco3)cc2c1- InChIKey
BEBLWCZQFBJRRA-UHFFFAOYSA-N- Molecular formula
- C11H8N2O
- Average molar mass
- 184.19 g/mol
- Monoisotopic mass
- 184.06366288
Names & identifiers
- Preferred name
- 5-(1H-indol-2-yl)oxazole
- IUPAC
- 5-(1H-indol-2-yl)-1,3-oxazole
Names & synonyms
5-(1H-indol-2-yl)oxazole84978-69-82-(1,3-oxazol-5-yl)-1H-indole5-(1H-indol-2-yl)-1,3-oxazoleMLS001180472SCHEMBL7122836CHEMBL1454044BEBLWCZQFBJRRA-UHFFFAOYSA-NDTXSID401319585HMS2835E05SMR000477819AQ-405/42300253
Database identifiers
- CAS
84978-69-8- PubChem CID
- 852045
- DTXSID
DTXSID401319585- ChEMBL
CHEMBL1454044
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 41.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 209
Experimental & physicochemical properties
Solubility21.6 [ug/mL] (The mean of the results at pH 7.4)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
3 records
Compound notes
Loading…