(2S,3S)-1-benzyl-4-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]azetidine-2-carbaldehyde

C20H18N2O4 — CID 10665536

IUPAC(2S,3S)-1-benzyl-4-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]azetidine-2-carbaldehyde
SMILESO=C[C@@H]1[C@H](N2C(=O)OC[C@@H]2c2ccccc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C20H18N2O4/c23-12-16-18(19(24)21(16)11-14-7-3-1-4-8-14)22-17(13-26-20(22)25)15-9-5-2-6-10-15/h1-10,12,16-18H,11,13H2/t16-,17-,18+/m1/s1
InChIKeyUGHWZETVYSOJOF-KURKYZTESA-N
MW350.37 g/mol
LogP2.16
Rot. Bonds5

About (2S,3S)-1-benzyl-4-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]azetidine-2-carbaldehyde

(2S,3S)-1-benzyl-4-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]azetidine-2-carbaldehyde (PubChem CID 10665536) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is (2S,3S)-1-benzyl-4-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]azetidine-2-carbaldehyde.

Molecular Properties

Compound Name(2S,3S)-1-benzyl-4-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]azetidine-2-carbaldehyde
PubChem CID10665536
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name(2S,3S)-1-benzyl-4-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]azetidine-2-carbaldehyde
SMILESO=C[C@@H]1[C@H](N2C(=O)OC[C@@H]2c2ccccc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C20H18N2O4/c23-12-16-18(19(24)21(16)11-14-7-3-1-4-8-14)22-17(13-26-20(22)25)15-9-5-2-6-10-15/h1-10,12,16-18H,11,13H2/t16-,17-,18+/m1/s1
InChIKeyUGHWZETVYSOJOF-KURKYZTESA-N
XLogP2.16
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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,3S)-1-benzyl-4-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]azetidine-2-carbaldehyde?
The IUPAC name of (2S,3S)-1-benzyl-4-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]azetidine-2-carbaldehyde (CID 10665536) is (2S,3S)-1-benzyl-4-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]azetidine-2-carbaldehyde.
What is the SMILES notation for (2S,3S)-1-benzyl-4-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]azetidine-2-carbaldehyde?
The canonical SMILES for (2S,3S)-1-benzyl-4-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]azetidine-2-carbaldehyde is O=C[C@@H]1[C@H](N2C(=O)OC[C@@H]2c2ccccc2)C(=O)N1Cc1ccccc1.
What is the InChIKey of (2S,3S)-1-benzyl-4-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]azetidine-2-carbaldehyde?
The InChIKey is UGHWZETVYSOJOF-KURKYZTESA-N. The full InChI is InChI=1S/C20H18N2O4/c23-12-16-18(19(24)21(16)11-14-7-3-1-4-8-14)22-17(13-26-20(22)25)15-9-5-2-6-10-15/h1-10,12,16-18H,11,13H2/t16-,17-,18+/m1/s1.
What are the key properties of (2S,3S)-1-benzyl-4-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]azetidine-2-carbaldehyde?
(2S,3S)-1-benzyl-4-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]azetidine-2-carbaldehyde has a molecular weight of 350.37 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-1-benzyl-4-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]azetidine-2-carbaldehyde is sourced from PubChem (CID 10665536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).