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Basic information
- Standard SMILES
Cc1cc(-c2nc(-c3ccc(C(O)CO)cc3)no2)nc(NC(C)C)n1- InChIKey
KYSJFWFEMGVPDM-UHFFFAOYSA-N- Molecular formula
- C18H21N5O3
- Average molar mass
- 355.4 g/mol
Names & identifiers
- Preferred name
- Racemic 1-{4-[5-(2-isopropylamino-6-methyl-pyrimidin-4-yl)-[1,2,4]oxadiazol-3-yl]-phenyl}-ethane-1,2-diol
- IUPAC
- 1-[4-[5-[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]ethane-1,2-diol
Names & synonyms
SCHEMBL3093051KYSJFWFEMGVPDM-UHFFFAOYSA-Nracemic 1-{4-[5-(2-isopropylamino-6-methyl-pyrimidin-4-yl)-[1,2,4]oxadiazol-3-yl]-phenyl}-ethane-1,2-diol
Database identifiers
- PubChem CID
- 68508784
Properties
Computed structural propertiesFilling in
- XLogP
- 1.8
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 433
Related reactions
2 records
Compound notes
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