4-((3-(2-(Dimethylamino)ethyl)-1H-indol-5-yl)methyl)-1,3-oxazolidin-2-one
Basic information
- CAS
139264-82-7- Standard SMILES
CN(C)CCc1c[nH]c2ccc(CC3COC(=O)N3)cc12- InChIKey
ULSDMUVEXKOYBU-UHFFFAOYSA-N- Molecular formula
- C16H21N3O2
- Average molar mass
- 287.36 g/mol
- Monoisotopic mass
- 287.16337692
Overview
2-Oxazolidinone, 4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]- is a member of tryptamines.
Names & identifiers
- Preferred name
- 4-((3-(2-(Dimethylamino)ethyl)-1H-indol-5-yl)methyl)-1,3-oxazolidin-2-one
- IUPAC
- 4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one
- English name
- 4-[3-(2-DIMETHYLAMINO-ETHYL)-1H-INDOL-5-YLMETHYL]-OXAZOLIDIN-2-ONE
- Molecular formula
- C16H21N3O2
- Molecular weight
- 287.36
Names & synonyms
4-({3-[2-(dimethylamino)ethyl]-1H-indol-5-yl}methyl)-1,3-oxazolidin-2-one4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one4-((3-(2-(Dimethylamino)ethyl)-1H-indol-5-yl)methyl)-1,3-oxazolidin-2-oneRefChem:1069644DTXCID60210002DTXSID80861353139264-82-72-Oxazolidinone, 4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-s16494-((3-(2-(dimethylamino)ethyl)-1H-indol-5-yl)methyl)oxazolidin-2-one4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]oxazolidin-2-oneNCGC00095155-01
Show more names
4-[3-(2-DIMETHYLAMINO-ETHYL)-1H-INDOL-5-YLMETHYL]-OXAZOLIDIN-2-ONE
MLS006011794CHEMBL120768SCHEMBL1246512CHEBI:181552HMS3369E19HMS3394K17HMS3651E15HMS5079L06
Database identifiers
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 57.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 375
Experimental & physicochemical properties
DrugsPharmaceuticals
Physicochemical properties
- Boiling point
- 563.3 · 563.3±38.0 °C(Predicted)
- Density
- 1.217 · 1.217±0.06 g/cm3(Predicted)
- pka
- 12.57 · 12.57±0.40(Predicted)
Chemistry & industry
Additional notes
DefinitionChEBI: 2-Oxazolidinone, 4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]- is a member of tryptamines.
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Related reactions
1 records
Compound notes
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