(5S)-3-benzyl-2-oxo-1,3-oxazolidine-5-carbaldehyde

C11H11NO3 — CID 10954695

IUPAC(5S)-3-benzyl-2-oxo-1,3-oxazolidine-5-carbaldehyde
SMILESO=C[C@@H]1CN(Cc2ccccc2)C(=O)O1
InChIInChI=1S/C11H11NO3/c13-8-10-7-12(11(14)15-10)6-9-4-2-1-3-5-9/h1-5,8,10H,6-7H2/t10-/m0/s1
InChIKeyKMOYPQRXCRHQMO-JTQLQIEISA-N
MW205.21 g/mol
LogP1.21
Rot. Bonds3

About (5S)-3-benzyl-2-oxo-1,3-oxazolidine-5-carbaldehyde

(5S)-3-benzyl-2-oxo-1,3-oxazolidine-5-carbaldehyde (PubChem CID 10954695) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is (5S)-3-benzyl-2-oxo-1,3-oxazolidine-5-carbaldehyde.

Molecular Properties

Compound Name(5S)-3-benzyl-2-oxo-1,3-oxazolidine-5-carbaldehyde
PubChem CID10954695
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name(5S)-3-benzyl-2-oxo-1,3-oxazolidine-5-carbaldehyde
SMILESO=C[C@@H]1CN(Cc2ccccc2)C(=O)O1
InChIInChI=1S/C11H11NO3/c13-8-10-7-12(11(14)15-10)6-9-4-2-1-3-5-9/h1-5,8,10H,6-7H2/t10-/m0/s1
InChIKeyKMOYPQRXCRHQMO-JTQLQIEISA-N
XLogP1.21
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5R)-2-oxo-3-[(3-propan-2-ylphenyl)methyl]-1,3-oxazolidine-5-carbaldehyde
CID 86620493
3-benzyl-5-ethyl-1,3-oxazolidin-2-one
CID 58532625
3-benzyl-5-(2-chloropropyl)-1,3-oxazolidin-2-one
CID 161152450
(5R)-3-benzyl-5-[(1R)-1-hydroxybutyl]-1,3-oxazolidin-2-one
CID 50901183
(5S)-3-benzyl-5-methyl-1,3-oxazinan-2-one
CID 122420073
1,3-dibenzyl-5-phenyl-1,3-diazinan-2-one
CID 59057333
3-benzyl-2-oxo-1,3-oxazinane-6-carbonitrile
CID 117010446
(6S)-3-benzyl-6-(dihydroxymethyl)-1,3-oxazinan-2-one
CID 70601041
3-benzyl-5-methyl-1,3-oxazolidin-2-one;bicyclo[2.1.0]pent-1(5)-ene;butane;ethane
CID 144657002
(5R)-3-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-5-phenyl-1,3-oxazolidin-2-one
CID 57473700
3-benzyl-5-[[4-(2-methoxyethyl)phenoxy]methyl]-1,3-oxazolidin-2-one
CID 2793994
5-methyl-3-[[4-(2-phenoxyethoxy)phenyl]methyl]-1,3-oxazolidin-2-one
CID 25174081

Frequently Asked Questions

What is the IUPAC name of (5S)-3-benzyl-2-oxo-1,3-oxazolidine-5-carbaldehyde?
The IUPAC name of (5S)-3-benzyl-2-oxo-1,3-oxazolidine-5-carbaldehyde (CID 10954695) is (5S)-3-benzyl-2-oxo-1,3-oxazolidine-5-carbaldehyde.
What is the SMILES notation for (5S)-3-benzyl-2-oxo-1,3-oxazolidine-5-carbaldehyde?
The canonical SMILES for (5S)-3-benzyl-2-oxo-1,3-oxazolidine-5-carbaldehyde is O=C[C@@H]1CN(Cc2ccccc2)C(=O)O1.
What is the InChIKey of (5S)-3-benzyl-2-oxo-1,3-oxazolidine-5-carbaldehyde?
The InChIKey is KMOYPQRXCRHQMO-JTQLQIEISA-N. The full InChI is InChI=1S/C11H11NO3/c13-8-10-7-12(11(14)15-10)6-9-4-2-1-3-5-9/h1-5,8,10H,6-7H2/t10-/m0/s1.
What are the key properties of (5S)-3-benzyl-2-oxo-1,3-oxazolidine-5-carbaldehyde?
(5S)-3-benzyl-2-oxo-1,3-oxazolidine-5-carbaldehyde has a molecular weight of 205.21 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-benzyl-2-oxo-1,3-oxazolidine-5-carbaldehyde is sourced from PubChem (CID 10954695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).