ethyl 2-benzyl-5-(2-oxo-1,3-oxazolidin-3-yl)-4-phenyl-1,2-oxazolidine-3-carboxylate

C22H24N2O5 — CID 135011831

IUPACethyl 2-benzyl-5-(2-oxo-1,3-oxazolidin-3-yl)-4-phenyl-1,2-oxazolidine-3-carboxylate
SMILESCCOC(=O)C1C(c2ccccc2)C(N2CCOC2=O)ON1Cc1ccccc1
InChIInChI=1S/C22H24N2O5/c1-2-27-21(25)19-18(17-11-7-4-8-12-17)20(23-13-14-28-22(23)26)29-24(19)15-16-9-5-3-6-10-16/h3-12,18-20H,2,13-15H2,1H3
InChIKeyCERIVFBFLQQSDI-UHFFFAOYSA-N
MW396.44 g/mol
LogP2.93
Rot. Bonds6

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

ethyl 2-benzyl-5-(2-oxo-1,3-oxazolidin-3-yl)-4-phenyl-1,2-oxazolidine-3-carboxylate (PubChem CID 135011831) has the molecular formula C22H24N2O5 and a molecular weight of 396.44 g/mol. Its IUPAC name is ethyl 2-benzyl-5-(2-oxo-1,3-oxazolidin-3-yl)-4-phenyl-1,2-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-benzyl-5-(2-oxo-1,3-oxazolidin-3-yl)-4-phenyl-1,2-oxazolidine-3-carboxylate
PubChem CID135011831
Molecular FormulaC22H24N2O5
Molecular Weight396.44 g/mol
Exact Mass396.17
IUPAC Nameethyl 2-benzyl-5-(2-oxo-1,3-oxazolidin-3-yl)-4-phenyl-1,2-oxazolidine-3-carboxylate
SMILESCCOC(=O)C1C(c2ccccc2)C(N2CCOC2=O)ON1Cc1ccccc1
InChIInChI=1S/C22H24N2O5/c1-2-27-21(25)19-18(17-11-7-4-8-12-17)20(23-13-14-28-22(23)26)29-24(19)15-16-9-5-3-6-10-16/h3-12,18-20H,2,13-15H2,1H3
InChIKeyCERIVFBFLQQSDI-UHFFFAOYSA-N
XLogP2.93
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-benzyl-5-(2-oxo-1,3-oxazolidin-3-yl)-4-phenyl-1,2-oxazolidine-3-carboxylate?
The IUPAC name of ethyl 2-benzyl-5-(2-oxo-1,3-oxazolidin-3-yl)-4-phenyl-1,2-oxazolidine-3-carboxylate (CID 135011831) is ethyl 2-benzyl-5-(2-oxo-1,3-oxazolidin-3-yl)-4-phenyl-1,2-oxazolidine-3-carboxylate.
What is the SMILES notation for ethyl 2-benzyl-5-(2-oxo-1,3-oxazolidin-3-yl)-4-phenyl-1,2-oxazolidine-3-carboxylate?
The canonical SMILES for ethyl 2-benzyl-5-(2-oxo-1,3-oxazolidin-3-yl)-4-phenyl-1,2-oxazolidine-3-carboxylate is CCOC(=O)C1C(c2ccccc2)C(N2CCOC2=O)ON1Cc1ccccc1.
What is the InChIKey of ethyl 2-benzyl-5-(2-oxo-1,3-oxazolidin-3-yl)-4-phenyl-1,2-oxazolidine-3-carboxylate?
The InChIKey is CERIVFBFLQQSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O5/c1-2-27-21(25)19-18(17-11-7-4-8-12-17)20(23-13-14-28-22(23)26)29-24(19)15-16-9-5-3-6-10-16/h3-12,18-20H,2,13-15H2,1H3.
What are the key properties of ethyl 2-benzyl-5-(2-oxo-1,3-oxazolidin-3-yl)-4-phenyl-1,2-oxazolidine-3-carboxylate?
ethyl 2-benzyl-5-(2-oxo-1,3-oxazolidin-3-yl)-4-phenyl-1,2-oxazolidine-3-carboxylate has a molecular weight of 396.44 g/mol, XLogP of 2.93, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-benzyl-5-(2-oxo-1,3-oxazolidin-3-yl)-4-phenyl-1,2-oxazolidine-3-carboxylate is sourced from PubChem (CID 135011831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).