Propanoic acid, 2,2-dimethyl-, (5-oxo-3-pyrazinyl-1,2,4-oxadiazol-4(5H)-yl)methyl ester
Basic information
- CAS
345631-76-7- Standard SMILES
CC(C)(C)C(=O)OCn1c(-c2cnccn2)noc1=O- InChIKey
PDCUJMDUVXJZRQ-UHFFFAOYSA-N- Molecular formula
- C12H14N4O4
- Average molar mass
- 278.26 g/mol
- Monoisotopic mass
- 278.10150494
Names & identifiers
- Preferred name
- Propanoic acid, 2,2-dimethyl-, (5-oxo-3-pyrazinyl-1,2,4-oxadiazol-4(5H)-yl)methyl ester
- IUPAC
- (5-oxo-3-pyrazin-2-yl-1,2,4-oxadiazol-4-yl)methyl 2,2-dimethylpropanoate
Names & synonyms
Propanoic acid, 2,2-dimethyl-, (5-oxo-3-pyrazinyl-1,2,4-oxadiazol-4(5H)-yl)methyl ester345631-76-7CHEMBL288372DTXSID30188103(5-oxo-3-pyrazin-2-yl-1,2,4-oxadiazol-4-yl)methyl 2,2-dimethylpropanoate[5-Oxo-3-(pyrazin-2-yl)-1,2,4-oxadiazol-4(5H)-yl]methyl 2,2-dimethylpropanoate
Database identifiers
- CAS
345631-76-7- PubChem CID
- 462154
- DTXSID
DTXSID30188103- ChEMBL
CHEMBL288372- Nikkaji
- J1.541.947D
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 94 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 430
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Compound notes
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