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

C11H13NO2 — CID 174480372

IUPAC(4R)-4-benzyl-1,3-oxazolidine-2-carbaldehyde
SMILESO=CC1N[C@H](Cc2ccccc2)CO1
InChIInChI=1S/C11H13NO2/c13-7-11-12-10(8-14-11)6-9-4-2-1-3-5-9/h1-5,7,10-12H,6,8H2/t10-,11?/m1/s1
InChIKeyFDKNBMVBKKPMCP-NFJWQWPMSA-N
MW191.23 g/mol
LogP0.74
Rot. Bonds3

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

(4R)-4-benzyl-1,3-oxazolidine-2-carbaldehyde (PubChem CID 174480372) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is (4R)-4-benzyl-1,3-oxazolidine-2-carbaldehyde.

Molecular Properties

Compound Name(4R)-4-benzyl-1,3-oxazolidine-2-carbaldehyde
PubChem CID174480372
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name(4R)-4-benzyl-1,3-oxazolidine-2-carbaldehyde
SMILESO=CC1N[C@H](Cc2ccccc2)CO1
InChIInChI=1S/C11H13NO2/c13-7-11-12-10(8-14-11)6-9-4-2-1-3-5-9/h1-5,7,10-12H,6,8H2/t10-,11?/m1/s1
InChIKeyFDKNBMVBKKPMCP-NFJWQWPMSA-N
XLogP0.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-benzyl-2-methyl-1,3-oxazolidine
CID 82280019
(4R)-4-(hydroxymethyl)-1,3-oxazolidine-2-carbaldehyde
CID 175512028
5-benzyl-3-ethyl-2-phenylmorpholine
CID 63261636
(4S)-4-[[3-(2-amino-2-methylpropyl)-1H-indol-5-yl]methyl]-1,3-oxazolidine-2-carbaldehyde
CID 174624916
3-benzyl-5,7-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine
CID 64751241
[(3R,5S)-5-benzylmorpholin-3-yl]phosphonic acid
CID 102365390
3-benzyl-5-(difluoromethyl)morpholine
CID 137409064
4-benzyl-1,3-oxazolidine
CID 22719793
lithium (4S)-4-benzyl-1,3-oxazolidin-2-one
CID 21353540
benzyl 2-[(4R)-2-hydroxy-1,3-oxazolidin-4-yl]acetate
CID 170406957
2-benzyl-1-chloroimidazolidine-4-carbaldehyde
CID 151825050
6-benzylpiperidin-2-ol
CID 163764963

Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-1,3-oxazolidine-2-carbaldehyde?
The IUPAC name of (4R)-4-benzyl-1,3-oxazolidine-2-carbaldehyde (CID 174480372) is (4R)-4-benzyl-1,3-oxazolidine-2-carbaldehyde.
What is the SMILES notation for (4R)-4-benzyl-1,3-oxazolidine-2-carbaldehyde?
The canonical SMILES for (4R)-4-benzyl-1,3-oxazolidine-2-carbaldehyde is O=CC1N[C@H](Cc2ccccc2)CO1.
What is the InChIKey of (4R)-4-benzyl-1,3-oxazolidine-2-carbaldehyde?
The InChIKey is FDKNBMVBKKPMCP-NFJWQWPMSA-N. The full InChI is InChI=1S/C11H13NO2/c13-7-11-12-10(8-14-11)6-9-4-2-1-3-5-9/h1-5,7,10-12H,6,8H2/t10-,11?/m1/s1.
What are the key properties of (4R)-4-benzyl-1,3-oxazolidine-2-carbaldehyde?
(4R)-4-benzyl-1,3-oxazolidine-2-carbaldehyde has a molecular weight of 191.23 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzyl-1,3-oxazolidine-2-carbaldehyde is sourced from PubChem (CID 174480372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).