(4S)-4-methyl-1,3-oxazolidine-2-carbaldehyde

C5H9NO2 — CID 174476028

IUPAC(4S)-4-methyl-1,3-oxazolidine-2-carbaldehyde
SMILESC[C@H]1COC(C=O)N1
InChIInChI=1S/C5H9NO2/c1-4-3-8-5(2-7)6-4/h2,4-6H,3H2,1H3/t4-,5?/m0/s1
InChIKeyWIDIXYLIUVUGMK-ROLXFIACSA-N
MW115.13 g/mol
LogP-0.48
Rot. Bonds1

About (4S)-4-methyl-1,3-oxazolidine-2-carbaldehyde

(4S)-4-methyl-1,3-oxazolidine-2-carbaldehyde (PubChem CID 174476028) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is (4S)-4-methyl-1,3-oxazolidine-2-carbaldehyde.

Molecular Properties

Compound Name(4S)-4-methyl-1,3-oxazolidine-2-carbaldehyde
PubChem CID174476028
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Name(4S)-4-methyl-1,3-oxazolidine-2-carbaldehyde
SMILESC[C@H]1COC(C=O)N1
InChIInChI=1S/C5H9NO2/c1-4-3-8-5(2-7)6-4/h2,4-6H,3H2,1H3/t4-,5?/m0/s1
InChIKeyWIDIXYLIUVUGMK-ROLXFIACSA-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 (4S)-4-methyl-1,3-oxazolidine-2-carbaldehyde?
The IUPAC name of (4S)-4-methyl-1,3-oxazolidine-2-carbaldehyde (CID 174476028) is (4S)-4-methyl-1,3-oxazolidine-2-carbaldehyde.
What is the SMILES notation for (4S)-4-methyl-1,3-oxazolidine-2-carbaldehyde?
The canonical SMILES for (4S)-4-methyl-1,3-oxazolidine-2-carbaldehyde is C[C@H]1COC(C=O)N1.
What is the InChIKey of (4S)-4-methyl-1,3-oxazolidine-2-carbaldehyde?
The InChIKey is WIDIXYLIUVUGMK-ROLXFIACSA-N. The full InChI is InChI=1S/C5H9NO2/c1-4-3-8-5(2-7)6-4/h2,4-6H,3H2,1H3/t4-,5?/m0/s1.
What are the key properties of (4S)-4-methyl-1,3-oxazolidine-2-carbaldehyde?
(4S)-4-methyl-1,3-oxazolidine-2-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 (4S)-4-methyl-1,3-oxazolidine-2-carbaldehyde is sourced from PubChem (CID 174476028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).