[[(4-Amino-1,2,5-oxadiazol-3-yl)-morpholin-4-ylmethylidene]amino] acetate
Basic information
- CAS
5001-65-0- Standard SMILES
CC(=O)ON=C(c1nonc1N)N1CCOCC1- InChIKey
OSYJIRXXCYTTEF-UHFFFAOYSA-N- Molecular formula
- C9H13N5O4
- Average molar mass
- 255.23 g/mol
- Monoisotopic mass
- 255.09675391
Names & identifiers
- Preferred name
- [[(4-Amino-1,2,5-oxadiazol-3-yl)-morpholin-4-ylmethylidene]amino] acetate
- IUPAC
- [[(4-amino-1,2,5-oxadiazol-3-yl)-morpholin-4-ylmethylidene]amino] acetate
Names & synonyms
5001-65-0DTXSID209644931-({[(4-Amino-1,2,5-oxadiazol-3-yl)(morpholin-4-yl)methylidene]amino}oxy)ethan-1-one
Database identifiers
- CAS
5001-65-0- PubChem CID
- 775533
- DTXSID
DTXSID20964493
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 331
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Compound notes
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