(4R,5S)-5-(chloromethyl)-4-methoxy-1,3-oxazolidin-2-one

C5H8ClNO3 — CID 11805113

IUPAC(4R,5S)-5-(chloromethyl)-4-methoxy-1,3-oxazolidin-2-one
SMILESCO[C@H]1NC(=O)O[C@@H]1CCl
InChIInChI=1S/C5H8ClNO3/c1-9-4-3(2-6)10-5(8)7-4/h3-4H,2H2,1H3,(H,7,8)/t3-,4-/m1/s1
InChIKeyNZWUWANSPKWEDY-QWWZWVQMSA-N
MW165.58 g/mol
LogP0.31
Rot. Bonds2

About (4R,5S)-5-(chloromethyl)-4-methoxy-1,3-oxazolidin-2-one

(4R,5S)-5-(chloromethyl)-4-methoxy-1,3-oxazolidin-2-one (PubChem CID 11805113) has the molecular formula C5H8ClNO3 and a molecular weight of 165.58 g/mol. Its IUPAC name is (4R,5S)-5-(chloromethyl)-4-methoxy-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-5-(chloromethyl)-4-methoxy-1,3-oxazolidin-2-one
PubChem CID11805113
Molecular FormulaC5H8ClNO3
Molecular Weight165.58 g/mol
Exact Mass165.02
IUPAC Name(4R,5S)-5-(chloromethyl)-4-methoxy-1,3-oxazolidin-2-one
SMILESCO[C@H]1NC(=O)O[C@@H]1CCl
InChIInChI=1S/C5H8ClNO3/c1-9-4-3(2-6)10-5(8)7-4/h3-4H,2H2,1H3,(H,7,8)/t3-,4-/m1/s1
InChIKeyNZWUWANSPKWEDY-QWWZWVQMSA-N
XLogP0.31
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.58
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-5-(chloromethyl)-4-methoxy-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5S)-5-(chloromethyl)-4-methoxy-1,3-oxazolidin-2-one (CID 11805113) is (4R,5S)-5-(chloromethyl)-4-methoxy-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5S)-5-(chloromethyl)-4-methoxy-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5S)-5-(chloromethyl)-4-methoxy-1,3-oxazolidin-2-one is CO[C@H]1NC(=O)O[C@@H]1CCl.
What is the InChIKey of (4R,5S)-5-(chloromethyl)-4-methoxy-1,3-oxazolidin-2-one?
The InChIKey is NZWUWANSPKWEDY-QWWZWVQMSA-N. The full InChI is InChI=1S/C5H8ClNO3/c1-9-4-3(2-6)10-5(8)7-4/h3-4H,2H2,1H3,(H,7,8)/t3-,4-/m1/s1.
What are the key properties of (4R,5S)-5-(chloromethyl)-4-methoxy-1,3-oxazolidin-2-one?
(4R,5S)-5-(chloromethyl)-4-methoxy-1,3-oxazolidin-2-one has a molecular weight of 165.58 g/mol, XLogP of 0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-5-(chloromethyl)-4-methoxy-1,3-oxazolidin-2-one is sourced from PubChem (CID 11805113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).