(4R)-4-(hydroxymethyl)-1,3-oxazolidine-2-carbaldehyde

C5H9NO3 — CID 175512028

IUPAC(4R)-4-(hydroxymethyl)-1,3-oxazolidine-2-carbaldehyde
SMILESO=CC1N[C@H](CO)CO1
InChIInChI=1S/C5H9NO3/c7-1-4-3-9-5(2-8)6-4/h2,4-7H,1,3H2/t4-,5?/m1/s1
InChIKeyLGQHATAITICWFL-CNZKWPKMSA-N
MW131.13 g/mol
LogP-1.51
Rot. Bonds2

About (4R)-4-(hydroxymethyl)-1,3-oxazolidine-2-carbaldehyde

(4R)-4-(hydroxymethyl)-1,3-oxazolidine-2-carbaldehyde (PubChem CID 175512028) has the molecular formula C5H9NO3 and a molecular weight of 131.13 g/mol. Its IUPAC name is (4R)-4-(hydroxymethyl)-1,3-oxazolidine-2-carbaldehyde.

Molecular Properties

Compound Name(4R)-4-(hydroxymethyl)-1,3-oxazolidine-2-carbaldehyde
PubChem CID175512028
Molecular FormulaC5H9NO3
Molecular Weight131.13 g/mol
Exact Mass131.06
IUPAC Name(4R)-4-(hydroxymethyl)-1,3-oxazolidine-2-carbaldehyde
SMILESO=CC1N[C@H](CO)CO1
InChIInChI=1S/C5H9NO3/c7-1-4-3-9-5(2-8)6-4/h2,4-7H,1,3H2/t4-,5?/m1/s1
InChIKeyLGQHATAITICWFL-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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Related Compounds

(5R)-5-(hydroxymethyl)-1,3-oxazolidine-2-carbaldehyde
CID 174773838
2-[2-(hydroxymethyl)-1,3-oxazolidin-4-yl]propanal
CID 174630978
5-(hydroxymethyl)piperazine-2-carbaldehyde
CID 174573198
(4S)-4-[[3-(2-amino-2-methylpropyl)-1H-indol-5-yl]methyl]-1,3-oxazolidine-2-carbaldehyde
CID 174624916
[(3R,5R)-5-propan-2-ylmorpholin-3-yl]methanol
CID 124653594
4-(hydroxymethyl)-1,3-dioxane-2-carbaldehyde
CID 174323449
oxiran-2-ylmethanol;phosphoric acid
CID 87891587
molecular iodine;oxiran-2-ylmethanol
CID 159687317
(4R,5R)-5-(hydroxymethyl)-1,3-dioxolane-4-carbaldehyde
CID 130965097
bis(oxirane-2-carbaldehyde);propane-1,2,3-triol
CID 22507450
oxirane-2-carbaldehyde;propane-1,2,3-triol
CID 87531271
[4-(hydroxymethyl)-1,3-dioxolan-2-yl] formate
CID 135314566

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(hydroxymethyl)-1,3-oxazolidine-2-carbaldehyde?
The IUPAC name of (4R)-4-(hydroxymethyl)-1,3-oxazolidine-2-carbaldehyde (CID 175512028) is (4R)-4-(hydroxymethyl)-1,3-oxazolidine-2-carbaldehyde.
What is the SMILES notation for (4R)-4-(hydroxymethyl)-1,3-oxazolidine-2-carbaldehyde?
The canonical SMILES for (4R)-4-(hydroxymethyl)-1,3-oxazolidine-2-carbaldehyde is O=CC1N[C@H](CO)CO1.
What is the InChIKey of (4R)-4-(hydroxymethyl)-1,3-oxazolidine-2-carbaldehyde?
The InChIKey is LGQHATAITICWFL-CNZKWPKMSA-N. The full InChI is InChI=1S/C5H9NO3/c7-1-4-3-9-5(2-8)6-4/h2,4-7H,1,3H2/t4-,5?/m1/s1.
What are the key properties of (4R)-4-(hydroxymethyl)-1,3-oxazolidine-2-carbaldehyde?
(4R)-4-(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 (4R)-4-(hydroxymethyl)-1,3-oxazolidine-2-carbaldehyde is sourced from PubChem (CID 175512028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).