(5S)-2,5-dimethyl-3-phenyl-1,2-oxazolidine-5-carbaldehyde

C12H15NO2 — CID 134943257

IUPAC(5S)-2,5-dimethyl-3-phenyl-1,2-oxazolidine-5-carbaldehyde
SMILESCN1O[C@](C)(C=O)CC1c1ccccc1
InChIInChI=1S/C12H15NO2/c1-12(9-14)8-11(13(2)15-12)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t11?,12-/m0/s1
InChIKeyQJSWWWXNXKRLMG-KIYNQFGBSA-N
MW205.26 g/mol
LogP1.95
Rot. Bonds2

About (5S)-2,5-dimethyl-3-phenyl-1,2-oxazolidine-5-carbaldehyde

(5S)-2,5-dimethyl-3-phenyl-1,2-oxazolidine-5-carbaldehyde (PubChem CID 134943257) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is (5S)-2,5-dimethyl-3-phenyl-1,2-oxazolidine-5-carbaldehyde.

Molecular Properties

Compound Name(5S)-2,5-dimethyl-3-phenyl-1,2-oxazolidine-5-carbaldehyde
PubChem CID134943257
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name(5S)-2,5-dimethyl-3-phenyl-1,2-oxazolidine-5-carbaldehyde
SMILESCN1O[C@](C)(C=O)CC1c1ccccc1
InChIInChI=1S/C12H15NO2/c1-12(9-14)8-11(13(2)15-12)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t11?,12-/m0/s1
InChIKeyQJSWWWXNXKRLMG-KIYNQFGBSA-N
XLogP1.95
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.95
H-Bond Donors ≤ 50
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 (5S)-2,5-dimethyl-3-phenyl-1,2-oxazolidine-5-carbaldehyde?
The IUPAC name of (5S)-2,5-dimethyl-3-phenyl-1,2-oxazolidine-5-carbaldehyde (CID 134943257) is (5S)-2,5-dimethyl-3-phenyl-1,2-oxazolidine-5-carbaldehyde.
What is the SMILES notation for (5S)-2,5-dimethyl-3-phenyl-1,2-oxazolidine-5-carbaldehyde?
The canonical SMILES for (5S)-2,5-dimethyl-3-phenyl-1,2-oxazolidine-5-carbaldehyde is CN1O[C@](C)(C=O)CC1c1ccccc1.
What is the InChIKey of (5S)-2,5-dimethyl-3-phenyl-1,2-oxazolidine-5-carbaldehyde?
The InChIKey is QJSWWWXNXKRLMG-KIYNQFGBSA-N. The full InChI is InChI=1S/C12H15NO2/c1-12(9-14)8-11(13(2)15-12)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t11?,12-/m0/s1.
What are the key properties of (5S)-2,5-dimethyl-3-phenyl-1,2-oxazolidine-5-carbaldehyde?
(5S)-2,5-dimethyl-3-phenyl-1,2-oxazolidine-5-carbaldehyde has a molecular weight of 205.26 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2,5-dimethyl-3-phenyl-1,2-oxazolidine-5-carbaldehyde is sourced from PubChem (CID 134943257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).