Oxazole, 2-((butylamino)methyl)-4,5-diphenyl-, monohydrochloride

Substructure search Find similar structures

Basic information

CAS: 33161-73-8
Standard SMILES: CCCCNCc1nc(-c2ccccc2)c(-c2ccccc2)o1.Cl
InChIKey: HRKXWMXCLGYYJY-UHFFFAOYSA-N
Molecular formula: C20H23ClN2O
Average molar mass: 342.9 g/mol
Monoisotopic mass: 342.1498911

Names & identifiers

Preferred name: Oxazole, 2-((butylamino)methyl)-4,5-diphenyl-, monohydrochloride
IUPAC: N-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]butan-1-amine;hydrochloride

Names & synonyms

2-((Butylamino)methyl)-4,5-diphenyloxazole monohydrochloride33161-73-8Oxazole, 2-((butylamino)methyl)-4,5-diphenyl-, monohydrochlorideRefChem:367186SCHEMBL11713429DTXSID20954778HRKXWMXCLGYYJY-UHFFFAOYSA-N2-n-butylaminomethyl-4,5-diphenyloxazole hydrochlorideN-[(4,5-Diphenyl-1,3-oxazol-2-yl)methyl]butan-1-amine--hydrogen chloride (1/1)

Database identifiers

CAS: 33161-73-8
PubChem CID: 214409
DTXSID: DTXSID20954778

Properties

Computed structural properties

Topological polar surface area: 38.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 7
Heavy atoms: 24
Formal charge: 0
Complexity: 324

Related reactions

1 records

New reaction record

HRID 329209As productuspto-grants-1977_04

Compound notes

Loading…