(4S)-4-(3,3,3-trideuterio-2-hydroxy-2-methylpropyl)-1,3-oxazolidin-2-one

C7H13NO3 — CID 90304699

IUPAC(4S)-4-(3,3,3-trideuterio-2-hydroxy-2-methylpropyl)-1,3-oxazolidin-2-one
SMILES[2H]C([2H])([2H])C(C)(O)C[C@H]1COC(=O)N1
InChIInChI=1S/C7H13NO3/c1-7(2,10)3-5-4-11-6(9)8-5/h5,10H,3-4H2,1-2H3,(H,8,9)/t5-/m0/s1/i1D3/t5-,7?
InChIKeyMSMRBAAKNCMHAE-JQKRVRFOSA-N
MW162.20 g/mol
LogP0.26
Rot. Bonds3

About (4S)-4-(3,3,3-trideuterio-2-hydroxy-2-methylpropyl)-1,3-oxazolidin-2-one

(4S)-4-(3,3,3-trideuterio-2-hydroxy-2-methylpropyl)-1,3-oxazolidin-2-one (PubChem CID 90304699) has the molecular formula C7H13NO3 and a molecular weight of 162.20 g/mol. Its IUPAC name is (4S)-4-(3,3,3-trideuterio-2-hydroxy-2-methylpropyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(3,3,3-trideuterio-2-hydroxy-2-methylpropyl)-1,3-oxazolidin-2-one
PubChem CID90304699
Molecular FormulaC7H13NO3
Molecular Weight162.20 g/mol
Exact Mass162.11
IUPAC Name(4S)-4-(3,3,3-trideuterio-2-hydroxy-2-methylpropyl)-1,3-oxazolidin-2-one
SMILES[2H]C([2H])([2H])C(C)(O)C[C@H]1COC(=O)N1
InChIInChI=1S/C7H13NO3/c1-7(2,10)3-5-4-11-6(9)8-5/h5,10H,3-4H2,1-2H3,(H,8,9)/t5-/m0/s1/i1D3/t5-,7?
InChIKeyMSMRBAAKNCMHAE-JQKRVRFOSA-N
XLogP0.26
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.20
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(3,3,3-trideuterio-2-hydroxy-2-methylpropyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-(3,3,3-trideuterio-2-hydroxy-2-methylpropyl)-1,3-oxazolidin-2-one (CID 90304699) is (4S)-4-(3,3,3-trideuterio-2-hydroxy-2-methylpropyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-(3,3,3-trideuterio-2-hydroxy-2-methylpropyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-(3,3,3-trideuterio-2-hydroxy-2-methylpropyl)-1,3-oxazolidin-2-one is [2H]C([2H])([2H])C(C)(O)C[C@H]1COC(=O)N1.
What is the InChIKey of (4S)-4-(3,3,3-trideuterio-2-hydroxy-2-methylpropyl)-1,3-oxazolidin-2-one?
The InChIKey is MSMRBAAKNCMHAE-JQKRVRFOSA-N. The full InChI is InChI=1S/C7H13NO3/c1-7(2,10)3-5-4-11-6(9)8-5/h5,10H,3-4H2,1-2H3,(H,8,9)/t5-/m0/s1/i1D3/t5-,7?.
What are the key properties of (4S)-4-(3,3,3-trideuterio-2-hydroxy-2-methylpropyl)-1,3-oxazolidin-2-one?
(4S)-4-(3,3,3-trideuterio-2-hydroxy-2-methylpropyl)-1,3-oxazolidin-2-one has a molecular weight of 162.20 g/mol, XLogP of 0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(3,3,3-trideuterio-2-hydroxy-2-methylpropyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 90304699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).