3-Isoxazolecarboxylic acid, 5-methyl-, 2-butylhydrazide
Basic information
- CAS
101670-69-3- Standard SMILES
CCCCNNC(=O)c1cc(C)on1- InChIKey
XUZKNMCMPDHWIY-UHFFFAOYSA-N- Molecular formula
- C9H15N3O2
- Average molar mass
- 197.23 g/mol
- Monoisotopic mass
- 197.11642673
Names & identifiers
- Preferred name
- 3-Isoxazolecarboxylic acid, 5-methyl-, 2-butylhydrazide
- IUPAC
- N'-butyl-5-methyl-1,2-oxazole-3-carbohydrazide
Names & synonyms
BRN 07800413-ISOXAZOLECARBOXYLIC ACID, 5-METHYL-, 2-BUTYLHYDRAZIDE5-Methyl-3-isoxazolecarboxylic acid 2-butylhydrazide1-n-Butyl-2-(5-methyl-3-isoxazolylcarbonyl)hydrazine101670-69-3DTXSID80144113RefChem:280277DTXCID6066604N'-butyl-5-methyl-1,2-oxazole-3-carbohydrazide
Database identifiers
- CAS
101670-69-3- PubChem CID
- 58714
- DTXSID
DTXSID80144113- Nikkaji
- J94.713J
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 187
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Compound notes
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