Basic information
- CAS
345631-75-6- Standard SMILES
CC(C)(C)C(=O)OCn1c(-c2cccnc2)noc1=O- InChIKey
PEYSUSOHELZSGC-UHFFFAOYSA-N- Molecular formula
- C13H15N3O4
- Average molar mass
- 277.28 g/mol
- Monoisotopic mass
- 277.10625597
Names & identifiers
- Preferred name
- Propanoic acid, 2,2-dimethyl-, (5-oxo-3-(3-pyridinyl)-1,2,4-oxadiazol-4(5H)-yl)methyl ester
- IUPAC
- (5-oxo-3-pyridin-3-yl-1,2,4-oxadiazol-4-yl)methyl 2,2-dimethylpropanoate
Names & synonyms
345631-75-6Propanoic acid, 2,2-dimethyl-, (5-oxo-3-(3-pyridinyl)-1,2,4-oxadiazol-4(5H)-yl)methyl ester(5-oxo-3-pyridin-3-yl-1,2,4-oxadiazol-4-yl)methyl 2,2-dimethylpropanoatePropanoic acid, 2,2-dimethyl-, [5-oxo-3-(3-pyridinyl)-1,2,4-oxadiazol-4(5H)-yl]methyl esterCHEMBL291121DTXSID70188102AKOS033604138Z1828547205[5-oxo-3-(3-pyridyl)-1,2,4-oxadiazol-4-yl]methyl 2,2-dimethylpropanoate[5-Oxo-3-(pyridin-3-yl)-1,2,4-oxadiazol-4(5H)-yl]methyl 2,2-dimethylpropanoate
Database identifiers
- CAS
345631-75-6- PubChem CID
- 456397
- DTXSID
DTXSID70188102- ChEMBL
CHEMBL291121- Nikkaji
- J1.541.945H
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 81.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 428
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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