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

C19H19NO4 — CID 23256015

IUPACethyl (4S,5R)-3-benzyl-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate
SMILESCCOC(=O)[C@@H]1[C@@H](c2ccccc2)OC(=O)N1Cc1ccccc1
InChIInChI=1S/C19H19NO4/c1-2-23-18(21)16-17(15-11-7-4-8-12-15)24-19(22)20(16)13-14-9-5-3-6-10-14/h3-12,16-17H,2,13H2,1H3/t16-,17+/m0/s1
InChIKeyFRGSQDUGZMAJAY-DLBZAZTESA-N
MW325.36 g/mol
LogP3.31
Rot. Bonds5

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

ethyl (4S,5R)-3-benzyl-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate (PubChem CID 23256015) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is ethyl (4S,5R)-3-benzyl-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate.

Molecular Properties

Compound Nameethyl (4S,5R)-3-benzyl-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate
PubChem CID23256015
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Nameethyl (4S,5R)-3-benzyl-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate
SMILESCCOC(=O)[C@@H]1[C@@H](c2ccccc2)OC(=O)N1Cc1ccccc1
InChIInChI=1S/C19H19NO4/c1-2-23-18(21)16-17(15-11-7-4-8-12-15)24-19(22)20(16)13-14-9-5-3-6-10-14/h3-12,16-17H,2,13H2,1H3/t16-,17+/m0/s1
InChIKeyFRGSQDUGZMAJAY-DLBZAZTESA-N
XLogP3.31
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl (4S,5R)-3-benzyl-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate?
The IUPAC name of ethyl (4S,5R)-3-benzyl-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate (CID 23256015) is ethyl (4S,5R)-3-benzyl-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate.
What is the SMILES notation for ethyl (4S,5R)-3-benzyl-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate?
The canonical SMILES for ethyl (4S,5R)-3-benzyl-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate is CCOC(=O)[C@@H]1[C@@H](c2ccccc2)OC(=O)N1Cc1ccccc1.
What is the InChIKey of ethyl (4S,5R)-3-benzyl-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate?
The InChIKey is FRGSQDUGZMAJAY-DLBZAZTESA-N. The full InChI is InChI=1S/C19H19NO4/c1-2-23-18(21)16-17(15-11-7-4-8-12-15)24-19(22)20(16)13-14-9-5-3-6-10-14/h3-12,16-17H,2,13H2,1H3/t16-,17+/m0/s1.
What are the key properties of ethyl (4S,5R)-3-benzyl-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate?
ethyl (4S,5R)-3-benzyl-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate has a molecular weight of 325.36 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4S,5R)-3-benzyl-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate is sourced from PubChem (CID 23256015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).