(4S)-4,5,5-trideuterio-4-[dideuterio-[2,4,6,7-tetradeuterio-3-[1,1-dideuterio-2-[methyl(trideuteriomethyl)amino]ethyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one

C16H21N3O2 — CID 59719183

IUPAC(4S)-4,5,5-trideuterio-4-[dideuterio-[2,4,6,7-tetradeuterio-3-[1,1-dideuterio-2-[methyl(trideuteriomethyl)amino]ethyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one
SMILES[2H]c1[nH]c2c([2H])c([2H])c(C([2H])([2H])[C@]3([2H])NC(=O)OC3([2H])[2H])c([2H])c2c1C([2H])([2H])CN(C)C([2H])([2H])[2H]
InChIInChI=1S/C16H21N3O2/c1-19(2)6-5-12-9-17-15-4-3-11(8-14(12)15)7-13-10-21-16(20)18-13/h3-4,8-9,13,17H,5-7,10H2,1-2H3,(H,18,20)/t13-/m0/s1/i1D3,3D,4D,5D2,7D2,8D,9D,10D2,13D
InChIKeyULSDMUVEXKOYBU-NTRIKEBISA-N
MW301.45 g/mol
LogP1.92
Rot. Bonds6

About (4S)-4,5,5-trideuterio-4-[dideuterio-[2,4,6,7-tetradeuterio-3-[1,1-dideuterio-2-[methyl(trideuteriomethyl)amino]ethyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one

(4S)-4,5,5-trideuterio-4-[dideuterio-[2,4,6,7-tetradeuterio-3-[1,1-dideuterio-2-[methyl(trideuteriomethyl)amino]ethyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one (PubChem CID 59719183) has the molecular formula C16H21N3O2 and a molecular weight of 301.45 g/mol. Its IUPAC name is (4S)-4,5,5-trideuterio-4-[dideuterio-[2,4,6,7-tetradeuterio-3-[1,1-dideuterio-2-[methyl(trideuteriomethyl)amino]ethyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4,5,5-trideuterio-4-[dideuterio-[2,4,6,7-tetradeuterio-3-[1,1-dideuterio-2-[methyl(trideuteriomethyl)amino]ethyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one
PubChem CID59719183
Molecular FormulaC16H21N3O2
Molecular Weight301.45 g/mol
Exact Mass301.25
IUPAC Name(4S)-4,5,5-trideuterio-4-[dideuterio-[2,4,6,7-tetradeuterio-3-[1,1-dideuterio-2-[methyl(trideuteriomethyl)amino]ethyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one
SMILES[2H]c1[nH]c2c([2H])c([2H])c(C([2H])([2H])[C@]3([2H])NC(=O)OC3([2H])[2H])c([2H])c2c1C([2H])([2H])CN(C)C([2H])([2H])[2H]
InChIInChI=1S/C16H21N3O2/c1-19(2)6-5-12-9-17-15-4-3-11(8-14(12)15)7-13-10-21-16(20)18-13/h3-4,8-9,13,17H,5-7,10H2,1-2H3,(H,18,20)/t13-/m0/s1/i1D3,3D,4D,5D2,7D2,8D,9D,10D2,13D
InChIKeyULSDMUVEXKOYBU-NTRIKEBISA-N
XLogP1.92
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.45
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (4S)-4,5,5-trideuterio-4-[dideuterio-[2,4,6,7-tetradeuterio-3-[1,1-dideuterio-2-[methyl(trideuteriomethyl)amino]ethyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4S)-4,5,5-trideuterio-4-[dideuterio-[2,4,6,7-tetradeuterio-3-[1,1-dideuterio-2-[methyl(trideuteriomethyl)amino]ethyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4,5,5-trideuterio-4-[dideuterio-[2,4,6,7-tetradeuterio-3-[1,1-dideuterio-2-[methyl(trideuteriomethyl)amino]ethyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one (CID 59719183) is (4S)-4,5,5-trideuterio-4-[dideuterio-[2,4,6,7-tetradeuterio-3-[1,1-dideuterio-2-[methyl(trideuteriomethyl)amino]ethyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4,5,5-trideuterio-4-[dideuterio-[2,4,6,7-tetradeuterio-3-[1,1-dideuterio-2-[methyl(trideuteriomethyl)amino]ethyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4,5,5-trideuterio-4-[dideuterio-[2,4,6,7-tetradeuterio-3-[1,1-dideuterio-2-[methyl(trideuteriomethyl)amino]ethyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one is [2H]c1[nH]c2c([2H])c([2H])c(C([2H])([2H])[C@]3([2H])NC(=O)OC3([2H])[2H])c([2H])c2c1C([2H])([2H])CN(C)C([2H])([2H])[2H].
What is the InChIKey of (4S)-4,5,5-trideuterio-4-[dideuterio-[2,4,6,7-tetradeuterio-3-[1,1-dideuterio-2-[methyl(trideuteriomethyl)amino]ethyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one?
The InChIKey is ULSDMUVEXKOYBU-NTRIKEBISA-N. The full InChI is InChI=1S/C16H21N3O2/c1-19(2)6-5-12-9-17-15-4-3-11(8-14(12)15)7-13-10-21-16(20)18-13/h3-4,8-9,13,17H,5-7,10H2,1-2H3,(H,18,20)/t13-/m0/s1/i1D3,3D,4D,5D2,7D2,8D,9D,10D2,13D.
What are the key properties of (4S)-4,5,5-trideuterio-4-[dideuterio-[2,4,6,7-tetradeuterio-3-[1,1-dideuterio-2-[methyl(trideuteriomethyl)amino]ethyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one?
(4S)-4,5,5-trideuterio-4-[dideuterio-[2,4,6,7-tetradeuterio-3-[1,1-dideuterio-2-[methyl(trideuteriomethyl)amino]ethyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one has a molecular weight of 301.45 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4,5,5-trideuterio-4-[dideuterio-[2,4,6,7-tetradeuterio-3-[1,1-dideuterio-2-[methyl(trideuteriomethyl)amino]ethyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 59719183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).