5-Isoxazolecarboxylic acid, 3-methyl-, 2-(p-(dimethylamino)benzyl)hydrazide

HCID 58715

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Basic information

CAS: 101670-70-6
Standard SMILES: Cc1cc(C(=O)NNCc2ccc(N(C)C)cc2)on1
InChIKey: QRGMGGLQHINTDK-UHFFFAOYSA-N
Molecular formula: C14H18N4O2
Average molar mass: 274.32 g/mol
Monoisotopic mass: 274.14297583

Names & identifiers

Preferred name: 5-Isoxazolecarboxylic acid, 3-methyl-, 2-(p-(dimethylamino)benzyl)hydrazide
IUPAC: N'-[[4-(dimethylamino)phenyl]methyl]-3-methyl-1,2-oxazole-5-carbohydrazide

Names & synonyms

101670-70-6BRN 08086085-ISOXAZOLECARBOXYLIC ACID, 3-METHYL-, 2-(p-(DIMETHYLAMINO)BENZYL)HYDRAZIDEDTXSID401441143-Methyl-5-isoxazolecarboxylic acid 2-(p-(dimethylamino)benzyl)hydrazideRefChem:303623DTXCID1066605N'-(4-(Dimethylamino)benzyl)-3-methylisoxazole-5-carbohydrazideN'-{[4-(DIMETHYLAMINO)PHENYL]METHYL}-3-METHYL-1,2-OXAZOLE-5-CARBOHYDRAZIDEN'-[[4-(dimethylamino)phenyl]methyl]-3-methyl-1,2-oxazole-5-carbohydrazide

Database identifiers

CAS: 101670-70-6
PubChem CID: 58715
DTXSID: DTXSID40144114
Nikkaji: J96.736J

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 70.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 5
Heavy atoms: 20
Formal charge: 0
Complexity: 316

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