(2S,5R)-2-methyl-1,3-oxazolidine-5-carbaldehyde

C5H9NO2 — CID 89359147

IUPAC(2S,5R)-2-methyl-1,3-oxazolidine-5-carbaldehyde
SMILESC[C@H]1NC[C@H](C=O)O1
InChIInChI=1S/C5H9NO2/c1-4-6-2-5(3-7)8-4/h3-6H,2H2,1H3/t4-,5+/m0/s1
InChIKeyDHGCLNZPJIWEKZ-CRCLSJGQSA-N
MW115.13 g/mol
LogP-0.48
Rot. Bonds1

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

(2S,5R)-2-methyl-1,3-oxazolidine-5-carbaldehyde (PubChem CID 89359147) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is (2S,5R)-2-methyl-1,3-oxazolidine-5-carbaldehyde.

Molecular Properties

Compound Name(2S,5R)-2-methyl-1,3-oxazolidine-5-carbaldehyde
PubChem CID89359147
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Name(2S,5R)-2-methyl-1,3-oxazolidine-5-carbaldehyde
SMILESC[C@H]1NC[C@H](C=O)O1
InChIInChI=1S/C5H9NO2/c1-4-6-2-5(3-7)8-4/h3-6H,2H2,1H3/t4-,5+/m0/s1
InChIKeyDHGCLNZPJIWEKZ-CRCLSJGQSA-N
XLogP-0.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,5R)-2-methyl-1,3-oxazolidine-5-carbaldehyde?
The IUPAC name of (2S,5R)-2-methyl-1,3-oxazolidine-5-carbaldehyde (CID 89359147) is (2S,5R)-2-methyl-1,3-oxazolidine-5-carbaldehyde.
What is the SMILES notation for (2S,5R)-2-methyl-1,3-oxazolidine-5-carbaldehyde?
The canonical SMILES for (2S,5R)-2-methyl-1,3-oxazolidine-5-carbaldehyde is C[C@H]1NC[C@H](C=O)O1.
What is the InChIKey of (2S,5R)-2-methyl-1,3-oxazolidine-5-carbaldehyde?
The InChIKey is DHGCLNZPJIWEKZ-CRCLSJGQSA-N. The full InChI is InChI=1S/C5H9NO2/c1-4-6-2-5(3-7)8-4/h3-6H,2H2,1H3/t4-,5+/m0/s1.
What are the key properties of (2S,5R)-2-methyl-1,3-oxazolidine-5-carbaldehyde?
(2S,5R)-2-methyl-1,3-oxazolidine-5-carbaldehyde has a molecular weight of 115.13 g/mol, XLogP of -0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-2-methyl-1,3-oxazolidine-5-carbaldehyde is sourced from PubChem (CID 89359147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).