4-[6-(4-Methyl-6-oxo-1,4,5,6-tetrahydro-pyridazin-3-yl)-benzoxazol-2-yl]-benzonitrile

HCID 67461007

Notes Reactions

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Basic information

Standard SMILES: CC1CC(=O)NN=C1c1ccc2nc(-c3ccc(C#N)cc3)oc2c1
InChIKey: OFJWCCXIDFTYKC-UHFFFAOYSA-N
Molecular formula: C19H14N4O2
Average molar mass: 330.3 g/mol

Names & identifiers

Preferred name: 4-[6-(4-Methyl-6-oxo-1,4,5,6-tetrahydro-pyridazin-3-yl)-benzoxazol-2-yl]-benzonitrile
IUPAC: 4-[6-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1,3-benzoxazol-2-yl]benzonitrile

Names & synonyms

SCHEMBL2580209CHEMBL3907277OFJWCCXIDFTYKC-UHFFFAOYSA-NBDBM180621US8772323, 1224-[6-(4-methyl-6-oxo-1,4,5,6-tetrahydro-pyridazin-3-yl)-benzoxazol-2-yl]-benzonitrile

Database identifiers

PubChem CID: 67461007
ChEMBL: CHEMBL3907277

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 91.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 25
Formal charge: 0
Complexity: 602

Related reactions

2 records

New reaction record

HRID 1619981As productuspto-grants-2014_07

HRID 1619982As reactantuspto-grants-2014_07

Compound notes

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