(4R,5S)-4,5-bis(hydroxymethyl)-1,3-oxazolidin-2-one

C5H9NO4 — CID 15525903

IUPAC(4R,5S)-4,5-bis(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESO=C1N[C@H](CO)[C@@H](CO)O1
InChIInChI=1S/C5H9NO4/c7-1-3-4(2-8)10-5(9)6-3/h3-4,7-8H,1-2H2,(H,6,9)/t3-,4-/m1/s1
InChIKeyLEVRNHSBJGGBDZ-QWWZWVQMSA-N
MW147.13 g/mol
LogP-1.55
Rot. Bonds2

About (4R,5S)-4,5-bis(hydroxymethyl)-1,3-oxazolidin-2-one

(4R,5S)-4,5-bis(hydroxymethyl)-1,3-oxazolidin-2-one (PubChem CID 15525903) has the molecular formula C5H9NO4 and a molecular weight of 147.13 g/mol. Its IUPAC name is (4R,5S)-4,5-bis(hydroxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-4,5-bis(hydroxymethyl)-1,3-oxazolidin-2-one
PubChem CID15525903
Molecular FormulaC5H9NO4
Molecular Weight147.13 g/mol
Exact Mass147.05
IUPAC Name(4R,5S)-4,5-bis(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESO=C1N[C@H](CO)[C@@H](CO)O1
InChIInChI=1S/C5H9NO4/c7-1-3-4(2-8)10-5(9)6-3/h3-4,7-8H,1-2H2,(H,6,9)/t3-,4-/m1/s1
InChIKeyLEVRNHSBJGGBDZ-QWWZWVQMSA-N
XLogP-1.55
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.13
LogP ≤ 5-1.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4,5-bis(hydroxymethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5S)-4,5-bis(hydroxymethyl)-1,3-oxazolidin-2-one (CID 15525903) is (4R,5S)-4,5-bis(hydroxymethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5S)-4,5-bis(hydroxymethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5S)-4,5-bis(hydroxymethyl)-1,3-oxazolidin-2-one is O=C1N[C@H](CO)[C@@H](CO)O1.
What is the InChIKey of (4R,5S)-4,5-bis(hydroxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is LEVRNHSBJGGBDZ-QWWZWVQMSA-N. The full InChI is InChI=1S/C5H9NO4/c7-1-3-4(2-8)10-5(9)6-3/h3-4,7-8H,1-2H2,(H,6,9)/t3-,4-/m1/s1.
What are the key properties of (4R,5S)-4,5-bis(hydroxymethyl)-1,3-oxazolidin-2-one?
(4R,5S)-4,5-bis(hydroxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 147.13 g/mol, XLogP of -1.55, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4,5-bis(hydroxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 15525903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).