(5S)-5-[(dimethylamino)methyl]-1,3-oxazolidin-2-one

C6H12N2O2 — CID 73351145

IUPAC(5S)-5-[(dimethylamino)methyl]-1,3-oxazolidin-2-one
SMILESCN(C)C[C@@H]1CNC(=O)O1
InChIInChI=1S/C6H12N2O2/c1-8(2)4-5-3-7-6(9)10-5/h5H,3-4H2,1-2H3,(H,7,9)/t5-/m0/s1
InChIKeyLIUNIAJFCDDQCI-YFKPBYRVSA-N
MW144.17 g/mol
LogP-0.34
Rot. Bonds2

About (5S)-5-[(dimethylamino)methyl]-1,3-oxazolidin-2-one

(5S)-5-[(dimethylamino)methyl]-1,3-oxazolidin-2-one (PubChem CID 73351145) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is (5S)-5-[(dimethylamino)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[(dimethylamino)methyl]-1,3-oxazolidin-2-one
PubChem CID73351145
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name(5S)-5-[(dimethylamino)methyl]-1,3-oxazolidin-2-one
SMILESCN(C)C[C@@H]1CNC(=O)O1
InChIInChI=1S/C6H12N2O2/c1-8(2)4-5-3-7-6(9)10-5/h5H,3-4H2,1-2H3,(H,7,9)/t5-/m0/s1
InChIKeyLIUNIAJFCDDQCI-YFKPBYRVSA-N
XLogP-0.34
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(dimethylamino)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-5-[(dimethylamino)methyl]-1,3-oxazolidin-2-one (CID 73351145) is (5S)-5-[(dimethylamino)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-5-[(dimethylamino)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-5-[(dimethylamino)methyl]-1,3-oxazolidin-2-one is CN(C)C[C@@H]1CNC(=O)O1.
What is the InChIKey of (5S)-5-[(dimethylamino)methyl]-1,3-oxazolidin-2-one?
The InChIKey is LIUNIAJFCDDQCI-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-8(2)4-5-3-7-6(9)10-5/h5H,3-4H2,1-2H3,(H,7,9)/t5-/m0/s1.
What are the key properties of (5S)-5-[(dimethylamino)methyl]-1,3-oxazolidin-2-one?
(5S)-5-[(dimethylamino)methyl]-1,3-oxazolidin-2-one has a molecular weight of 144.17 g/mol, XLogP of -0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(dimethylamino)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 73351145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).