N-butan-2-yl-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
Basic information
- CAS
723331-29-1- Standard SMILES
CCC(C)NC(=O)CSc1nnc(-c2c[nH]c3ccccc23)o1- InChIKey
XCVUGIZNZAFOKP-UHFFFAOYSA-N- Molecular formula
- C16H18N4O2S
- Average molar mass
- 330.4 g/mol
- Monoisotopic mass
- 330.115047
Names & identifiers
- Preferred name
- N-butan-2-yl-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
- IUPAC
- N-butan-2-yl-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
Names & synonyms
MLS001006179CHEMBL1730811DTXSID501329222HMS2721G21AKOS033672757N-butan-2-yl-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamideNCGC00292111-01723331-29-1SMR000349279AB00607531-02AB00607531-07SR-01000038677
Show more names
SR-01000038677-1Z19303770N-(butan-2-yl)-2-{[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide
Database identifiers
- CAS
723331-29-1- PubChem CID
- 3606465
- DTXSID
DTXSID501329222- ChEMBL
CHEMBL1730811
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 412
Experimental & physicochemical properties
Solubility23.9 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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