(4S)-4-(hydroxymethyl)-1,3-oxazolidin-2-one

C4H7NO3 — CID 14456890

IUPAC(4S)-4-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESO=C1N[C@@H](CO)CO1
InChIInChI=1S/C4H7NO3/c6-1-3-2-8-4(7)5-3/h3,6H,1-2H2,(H,5,7)/t3-/m0/s1
InChIKeyMEXGFDVEUOGVFI-VKHMYHEASA-N
MW117.10 g/mol
LogP-0.91
Rot. Bonds1

About (4S)-4-(hydroxymethyl)-1,3-oxazolidin-2-one

(4S)-4-(hydroxymethyl)-1,3-oxazolidin-2-one (PubChem CID 14456890) has the molecular formula C4H7NO3 and a molecular weight of 117.10 g/mol. Its IUPAC name is (4S)-4-(hydroxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(hydroxymethyl)-1,3-oxazolidin-2-one
PubChem CID14456890
Molecular FormulaC4H7NO3
Molecular Weight117.10 g/mol
Exact Mass117.04
IUPAC Name(4S)-4-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESO=C1N[C@@H](CO)CO1
InChIInChI=1S/C4H7NO3/c6-1-3-2-8-4(7)5-3/h3,6H,1-2H2,(H,5,7)/t3-/m0/s1
InChIKeyMEXGFDVEUOGVFI-VKHMYHEASA-N
XLogP-0.91
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.10
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(hydroxymethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-(hydroxymethyl)-1,3-oxazolidin-2-one (CID 14456890) is (4S)-4-(hydroxymethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-(hydroxymethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-(hydroxymethyl)-1,3-oxazolidin-2-one is O=C1N[C@@H](CO)CO1.
What is the InChIKey of (4S)-4-(hydroxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is MEXGFDVEUOGVFI-VKHMYHEASA-N. The full InChI is InChI=1S/C4H7NO3/c6-1-3-2-8-4(7)5-3/h3,6H,1-2H2,(H,5,7)/t3-/m0/s1.
What are the key properties of (4S)-4-(hydroxymethyl)-1,3-oxazolidin-2-one?
(4S)-4-(hydroxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 117.10 g/mol, XLogP of -0.91, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(hydroxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 14456890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).