benzyl (2R,4R)-4-benzyl-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate

C24H21NO4 — CID 10362761

IUPACbenzyl (2R,4R)-4-benzyl-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate
SMILESO=C1O[C@H](c2ccccc2)N(C(=O)OCc2ccccc2)[C@@H]1Cc1ccccc1
InChIInChI=1S/C24H21NO4/c26-23-21(16-18-10-4-1-5-11-18)25(22(29-23)20-14-8-3-9-15-20)24(27)28-17-19-12-6-2-7-13-19/h1-15,21-22H,16-17H2/t21-,22-/m1/s1
InChIKeyCOKHCNICVIMNPD-FGZHOGPDSA-N
MW387.44 g/mol
LogP4.49
Rot. Bonds5

About benzyl (2R,4R)-4-benzyl-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate

benzyl (2R,4R)-4-benzyl-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate (PubChem CID 10362761) has the molecular formula C24H21NO4 and a molecular weight of 387.44 g/mol. Its IUPAC name is benzyl (2R,4R)-4-benzyl-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Namebenzyl (2R,4R)-4-benzyl-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate
PubChem CID10362761
Molecular FormulaC24H21NO4
Molecular Weight387.44 g/mol
Exact Mass387.15
IUPAC Namebenzyl (2R,4R)-4-benzyl-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate
SMILESO=C1O[C@H](c2ccccc2)N(C(=O)OCc2ccccc2)[C@@H]1Cc1ccccc1
InChIInChI=1S/C24H21NO4/c26-23-21(16-18-10-4-1-5-11-18)25(22(29-23)20-14-8-3-9-15-20)24(27)28-17-19-12-6-2-7-13-19/h1-15,21-22H,16-17H2/t21-,22-/m1/s1
InChIKeyCOKHCNICVIMNPD-FGZHOGPDSA-N
XLogP4.49
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzyl (2R,4R)-4-benzyl-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of benzyl (2R,4R)-4-benzyl-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate (CID 10362761) is benzyl (2R,4R)-4-benzyl-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for benzyl (2R,4R)-4-benzyl-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for benzyl (2R,4R)-4-benzyl-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate is O=C1O[C@H](c2ccccc2)N(C(=O)OCc2ccccc2)[C@@H]1Cc1ccccc1.
What is the InChIKey of benzyl (2R,4R)-4-benzyl-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is COKHCNICVIMNPD-FGZHOGPDSA-N. The full InChI is InChI=1S/C24H21NO4/c26-23-21(16-18-10-4-1-5-11-18)25(22(29-23)20-14-8-3-9-15-20)24(27)28-17-19-12-6-2-7-13-19/h1-15,21-22H,16-17H2/t21-,22-/m1/s1.
What are the key properties of benzyl (2R,4R)-4-benzyl-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate?
benzyl (2R,4R)-4-benzyl-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 387.44 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R,4R)-4-benzyl-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 10362761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).