Basic information
- CAS
648917-63-9- Standard SMILES
COc1cc(-c2n[nH]c(=O)o2)ccc1N- InChIKey
HCDCCFYNXJBWDO-UHFFFAOYSA-N- Molecular formula
- C9H9N3O3
- Average molar mass
- 207.19 g/mol
- Monoisotopic mass
- 207.06439115
Names & identifiers
- Preferred name
- 5-(4-Amino-3-methoxyphenyl)-1,3,4-oxadiazol-2(3H)-one
- IUPAC
- 5-(4-amino-3-methoxyphenyl)-3H-1,3,4-oxadiazol-2-one
Names & synonyms
648917-63-95-(4-Amino-3-methoxyphenyl)-1,3,4-oxadiazol-2(3H)-oneSCHEMBL4399271DTXSID20619390HCDCCFYNXJBWDO-UHFFFAOYSA-N5-(4-amino-3-methoxyphenyl)-3H[1,3,4]oxadiazol-2-one
Database identifiers
- CAS
648917-63-9- PubChem CID
- 21883858
- DTXSID
DTXSID20619390
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 85.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 292
Related reactions
1 records
Compound notes
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