(5R)-5-(hydroxymethyl)-1,3-oxazolidine-2-carbaldehyde

C5H9NO3 — CID 174773838

IUPAC(5R)-5-(hydroxymethyl)-1,3-oxazolidine-2-carbaldehyde
SMILESO=CC1NC[C@H](CO)O1
InChIInChI=1S/C5H9NO3/c7-2-4-1-6-5(3-8)9-4/h3-7H,1-2H2/t4-,5?/m1/s1
InChIKeyDQOAYDBDICBYIN-CNZKWPKMSA-N
MW131.13 g/mol
LogP-1.51
Rot. Bonds2

About (5R)-5-(hydroxymethyl)-1,3-oxazolidine-2-carbaldehyde

(5R)-5-(hydroxymethyl)-1,3-oxazolidine-2-carbaldehyde (PubChem CID 174773838) has the molecular formula C5H9NO3 and a molecular weight of 131.13 g/mol. Its IUPAC name is (5R)-5-(hydroxymethyl)-1,3-oxazolidine-2-carbaldehyde.

Molecular Properties

Compound Name(5R)-5-(hydroxymethyl)-1,3-oxazolidine-2-carbaldehyde
PubChem CID174773838
Molecular FormulaC5H9NO3
Molecular Weight131.13 g/mol
Exact Mass131.06
IUPAC Name(5R)-5-(hydroxymethyl)-1,3-oxazolidine-2-carbaldehyde
SMILESO=CC1NC[C@H](CO)O1
InChIInChI=1S/C5H9NO3/c7-2-4-1-6-5(3-8)9-4/h3-7H,1-2H2/t4-,5?/m1/s1
InChIKeyDQOAYDBDICBYIN-CNZKWPKMSA-N
XLogP-1.51
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 5-1.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(hydroxymethyl)-1,3-oxazolidine-2-carbaldehyde?
The IUPAC name of (5R)-5-(hydroxymethyl)-1,3-oxazolidine-2-carbaldehyde (CID 174773838) is (5R)-5-(hydroxymethyl)-1,3-oxazolidine-2-carbaldehyde.
What is the SMILES notation for (5R)-5-(hydroxymethyl)-1,3-oxazolidine-2-carbaldehyde?
The canonical SMILES for (5R)-5-(hydroxymethyl)-1,3-oxazolidine-2-carbaldehyde is O=CC1NC[C@H](CO)O1.
What is the InChIKey of (5R)-5-(hydroxymethyl)-1,3-oxazolidine-2-carbaldehyde?
The InChIKey is DQOAYDBDICBYIN-CNZKWPKMSA-N. The full InChI is InChI=1S/C5H9NO3/c7-2-4-1-6-5(3-8)9-4/h3-7H,1-2H2/t4-,5?/m1/s1.
What are the key properties of (5R)-5-(hydroxymethyl)-1,3-oxazolidine-2-carbaldehyde?
(5R)-5-(hydroxymethyl)-1,3-oxazolidine-2-carbaldehyde has a molecular weight of 131.13 g/mol, XLogP of -1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(hydroxymethyl)-1,3-oxazolidine-2-carbaldehyde is sourced from PubChem (CID 174773838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).