(2S)-2-benzyl-1,3-oxazolidine-2-carbaldehyde

C11H13NO2 — CID 174427149

IUPAC(2S)-2-benzyl-1,3-oxazolidine-2-carbaldehyde
SMILESO=C[C@@]1(Cc2ccccc2)NCCO1
InChIInChI=1S/C11H13NO2/c13-9-11(12-6-7-14-11)8-10-4-2-1-3-5-10/h1-5,9,12H,6-8H2/t11-/m0/s1
InChIKeyBINLNHZBIUGWQX-NSHDSACASA-N
MW191.23 g/mol
LogP0.74
Rot. Bonds3

About (2S)-2-benzyl-1,3-oxazolidine-2-carbaldehyde

(2S)-2-benzyl-1,3-oxazolidine-2-carbaldehyde (PubChem CID 174427149) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is (2S)-2-benzyl-1,3-oxazolidine-2-carbaldehyde.

Molecular Properties

Compound Name(2S)-2-benzyl-1,3-oxazolidine-2-carbaldehyde
PubChem CID174427149
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name(2S)-2-benzyl-1,3-oxazolidine-2-carbaldehyde
SMILESO=C[C@@]1(Cc2ccccc2)NCCO1
InChIInChI=1S/C11H13NO2/c13-9-11(12-6-7-14-11)8-10-4-2-1-3-5-10/h1-5,9,12H,6-8H2/t11-/m0/s1
InChIKeyBINLNHZBIUGWQX-NSHDSACASA-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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Frequently Asked Questions

What is the IUPAC name of (2S)-2-benzyl-1,3-oxazolidine-2-carbaldehyde?
The IUPAC name of (2S)-2-benzyl-1,3-oxazolidine-2-carbaldehyde (CID 174427149) is (2S)-2-benzyl-1,3-oxazolidine-2-carbaldehyde.
What is the SMILES notation for (2S)-2-benzyl-1,3-oxazolidine-2-carbaldehyde?
The canonical SMILES for (2S)-2-benzyl-1,3-oxazolidine-2-carbaldehyde is O=C[C@@]1(Cc2ccccc2)NCCO1.
What is the InChIKey of (2S)-2-benzyl-1,3-oxazolidine-2-carbaldehyde?
The InChIKey is BINLNHZBIUGWQX-NSHDSACASA-N. The full InChI is InChI=1S/C11H13NO2/c13-9-11(12-6-7-14-11)8-10-4-2-1-3-5-10/h1-5,9,12H,6-8H2/t11-/m0/s1.
What are the key properties of (2S)-2-benzyl-1,3-oxazolidine-2-carbaldehyde?
(2S)-2-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 (2S)-2-benzyl-1,3-oxazolidine-2-carbaldehyde is sourced from PubChem (CID 174427149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).