(1,1,1,3,3-pentadeuterio-2-methylpropan-2-yl) N-deuterio-N-[1,1-dideuterio-2-oxo-2-[(4S)-4,5,5-trideuterio-4-(1,1,2,3,3-pentadeuterioprop-2-enyl)-2,2-bis(trideuteriomethyl)-1,3-oxazolidin-3-yl]ethyl]carbamate

C15H26N2O4 — CID 87499463

IUPAC(1,1,1,3,3-pentadeuterio-2-methylpropan-2-yl) N-deuterio-N-[1,1-dideuterio-2-oxo-2-[(4S)-4,5,5-trideuterio-4-(1,1,2,3,3-pentadeuterioprop-2-enyl)-2,2-bis(trideuteriomethyl)-1,3-oxazolidin-3-yl]ethyl]carbamate
SMILES[2H]C([2H])=C([2H])C([2H])([2H])[C@]1([2H])N(C(=O)C([2H])([2H])N([2H])C(=O)OC(C)(C([2H])[2H])C([2H])([2H])[2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])OC1([2H])[2H]
InChIInChI=1S/C15H26N2O4/c1-7-8-11-10-20-15(5,6)17(11)12(18)9-16-13(19)21-14(2,3)4/h7,11H,1,8-10H2,2-6H3,(H,16,19)/t11-/m0/s1/i1D2,2D2,3D3,5D3,6D3,7D,8D2,9D2,10D2,11D/hD/t11-,14?
InChIKeyOFXOXGYVZIPXDB-MKWBRGFLSA-N
MW320.52 g/mol
LogP2.05
Rot. Bonds6

About (1,1,1,3,3-pentadeuterio-2-methylpropan-2-yl) N-deuterio-N-[1,1-dideuterio-2-oxo-2-[(4S)-4,5,5-trideuterio-4-(1,1,2,3,3-pentadeuterioprop-2-enyl)-2,2-bis(trideuteriomethyl)-1,3-oxazolidin-3-yl]ethyl]carbamate

(1,1,1,3,3-pentadeuterio-2-methylpropan-2-yl) N-deuterio-N-[1,1-dideuterio-2-oxo-2-[(4S)-4,5,5-trideuterio-4-(1,1,2,3,3-pentadeuterioprop-2-enyl)-2,2-bis(trideuteriomethyl)-1,3-oxazolidin-3-yl]ethyl]carbamate (PubChem CID 87499463) has the molecular formula C15H26N2O4 and a molecular weight of 320.52 g/mol. Its IUPAC name is (1,1,1,3,3-pentadeuterio-2-methylpropan-2-yl) N-deuterio-N-[1,1-dideuterio-2-oxo-2-[(4S)-4,5,5-trideuterio-4-(1,1,2,3,3-pentadeuterioprop-2-enyl)-2,2-bis(trideuteriomethyl)-1,3-oxazolidin-3-yl]ethyl]carbamate.

Molecular Properties

Compound Name(1,1,1,3,3-pentadeuterio-2-methylpropan-2-yl) N-deuterio-N-[1,1-dideuterio-2-oxo-2-[(4S)-4,5,5-trideuterio-4-(1,1,2,3,3-pentadeuterioprop-2-enyl)-2,2-bis(trideuteriomethyl)-1,3-oxazolidin-3-yl]ethyl]carbamate
PubChem CID87499463
Molecular FormulaC15H26N2O4
Molecular Weight320.52 g/mol
Exact Mass320.33
IUPAC Name(1,1,1,3,3-pentadeuterio-2-methylpropan-2-yl) N-deuterio-N-[1,1-dideuterio-2-oxo-2-[(4S)-4,5,5-trideuterio-4-(1,1,2,3,3-pentadeuterioprop-2-enyl)-2,2-bis(trideuteriomethyl)-1,3-oxazolidin-3-yl]ethyl]carbamate
SMILES[2H]C([2H])=C([2H])C([2H])([2H])[C@]1([2H])N(C(=O)C([2H])([2H])N([2H])C(=O)OC(C)(C([2H])[2H])C([2H])([2H])[2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])OC1([2H])[2H]
InChIInChI=1S/C15H26N2O4/c1-7-8-11-10-20-15(5,6)17(11)12(18)9-16-13(19)21-14(2,3)4/h7,11H,1,8-10H2,2-6H3,(H,16,19)/t11-/m0/s1/i1D2,2D2,3D3,5D3,6D3,7D,8D2,9D2,10D2,11D/hD/t11-,14?
InChIKeyOFXOXGYVZIPXDB-MKWBRGFLSA-N
XLogP2.05
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.52
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1,1,1,3,3-pentadeuterio-2-methylpropan-2-yl) N-deuterio-N-[1,1-dideuterio-2-oxo-2-[(4S)-4,5,5-trideuterio-4-(1,1,2,3,3-pentadeuterioprop-2-enyl)-2,2-bis(trideuteriomethyl)-1,3-oxazolidin-3-yl]ethyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1,1,1,3,3-pentadeuterio-2-methylpropan-2-yl) N-deuterio-N-[1,1-dideuterio-2-oxo-2-[(4S)-4,5,5-trideuterio-4-(1,1,2,3,3-pentadeuterioprop-2-enyl)-2,2-bis(trideuteriomethyl)-1,3-oxazolidin-3-yl]ethyl]carbamate?
The IUPAC name of (1,1,1,3,3-pentadeuterio-2-methylpropan-2-yl) N-deuterio-N-[1,1-dideuterio-2-oxo-2-[(4S)-4,5,5-trideuterio-4-(1,1,2,3,3-pentadeuterioprop-2-enyl)-2,2-bis(trideuteriomethyl)-1,3-oxazolidin-3-yl]ethyl]carbamate (CID 87499463) is (1,1,1,3,3-pentadeuterio-2-methylpropan-2-yl) N-deuterio-N-[1,1-dideuterio-2-oxo-2-[(4S)-4,5,5-trideuterio-4-(1,1,2,3,3-pentadeuterioprop-2-enyl)-2,2-bis(trideuteriomethyl)-1,3-oxazolidin-3-yl]ethyl]carbamate.
What is the SMILES notation for (1,1,1,3,3-pentadeuterio-2-methylpropan-2-yl) N-deuterio-N-[1,1-dideuterio-2-oxo-2-[(4S)-4,5,5-trideuterio-4-(1,1,2,3,3-pentadeuterioprop-2-enyl)-2,2-bis(trideuteriomethyl)-1,3-oxazolidin-3-yl]ethyl]carbamate?
The canonical SMILES for (1,1,1,3,3-pentadeuterio-2-methylpropan-2-yl) N-deuterio-N-[1,1-dideuterio-2-oxo-2-[(4S)-4,5,5-trideuterio-4-(1,1,2,3,3-pentadeuterioprop-2-enyl)-2,2-bis(trideuteriomethyl)-1,3-oxazolidin-3-yl]ethyl]carbamate is [2H]C([2H])=C([2H])C([2H])([2H])[C@]1([2H])N(C(=O)C([2H])([2H])N([2H])C(=O)OC(C)(C([2H])[2H])C([2H])([2H])[2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])OC1([2H])[2H].
What is the InChIKey of (1,1,1,3,3-pentadeuterio-2-methylpropan-2-yl) N-deuterio-N-[1,1-dideuterio-2-oxo-2-[(4S)-4,5,5-trideuterio-4-(1,1,2,3,3-pentadeuterioprop-2-enyl)-2,2-bis(trideuteriomethyl)-1,3-oxazolidin-3-yl]ethyl]carbamate?
The InChIKey is OFXOXGYVZIPXDB-MKWBRGFLSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-7-8-11-10-20-15(5,6)17(11)12(18)9-16-13(19)21-14(2,3)4/h7,11H,1,8-10H2,2-6H3,(H,16,19)/t11-/m0/s1/i1D2,2D2,3D3,5D3,6D3,7D,8D2,9D2,10D2,11D/hD/t11-,14?.
What are the key properties of (1,1,1,3,3-pentadeuterio-2-methylpropan-2-yl) N-deuterio-N-[1,1-dideuterio-2-oxo-2-[(4S)-4,5,5-trideuterio-4-(1,1,2,3,3-pentadeuterioprop-2-enyl)-2,2-bis(trideuteriomethyl)-1,3-oxazolidin-3-yl]ethyl]carbamate?
(1,1,1,3,3-pentadeuterio-2-methylpropan-2-yl) N-deuterio-N-[1,1-dideuterio-2-oxo-2-[(4S)-4,5,5-trideuterio-4-(1,1,2,3,3-pentadeuterioprop-2-enyl)-2,2-bis(trideuteriomethyl)-1,3-oxazolidin-3-yl]ethyl]carbamate has a molecular weight of 320.52 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1,1,3,3-pentadeuterio-2-methylpropan-2-yl) N-deuterio-N-[1,1-dideuterio-2-oxo-2-[(4S)-4,5,5-trideuterio-4-(1,1,2,3,3-pentadeuterioprop-2-enyl)-2,2-bis(trideuteriomethyl)-1,3-oxazolidin-3-yl]ethyl]carbamate is sourced from PubChem (CID 87499463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).