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C23H24N4O3CAS 1306760-87-1404.47 g/mol

Open in Covalent MOL file
ONNHOHNON
AlcoholEtherNitrileSecondary amine

Properties

Molecular formula
C23H24N4O3
Molar mass
404.47 g/mol
Exact mass
404.1848 Da
logP
3.63Crippen estimate
Polar surface area
104.2 Ų
H-bond donors / acceptors
2 / 7
Rotatable bonds
7
Stereocentres
Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
1306760-87-1
SMILES
CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NCCO)no2)cc1C#N
InChIKey
XRVDGNKRPOAQTN-FQEVSTJZSA-N
InChI
InChI=1S/C23H24N4O3/c1-14(2)29-21-9-6-15(12-16(21)13-24)23-26-22(27-30-23)19-5-3-4-18-17(19)7-8-20(18)25-10-11-28/h3-6,9,12,14,20,25,28H,7-8,10-11H2,1-2H3/t20-/m0/s1

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Names and synonyms

5 names
  • Benzonitrile, 5-[3-[(1S)-2,3-dihydro-1-[(2-hydroxyethyl)amino]-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-(1-methylethoxy)-
  • 5-[3-[(1S)-2,3-Dihydro-1-[(2-hydroxyethyl)amino]-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-(1-methylethoxy)benzonitrile
  • RPC 1063
  • 5-[3-[1-(S)-(2-Hydroxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-isopropoxybenzonitrile
  • Zeposia

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Similar compounds

3-Cyano-4-(1-methylethoxy)benzoic acid258273-31-332 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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