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

C19H21NO3 — CID 11809099

IUPACethyl (3R,5R)-2-benzyl-3-phenyl-1,2-oxazolidine-5-carboxylate
SMILESCCOC(=O)[C@H]1C[C@H](c2ccccc2)N(Cc2ccccc2)O1
InChIInChI=1S/C19H21NO3/c1-2-22-19(21)18-13-17(16-11-7-4-8-12-16)20(23-18)14-15-9-5-3-6-10-15/h3-12,17-18H,2,13-14H2,1H3/t17-,18-/m1/s1
InChIKeyXTVHUACRTUOKGK-QZTJIDSGSA-N
MW311.38 g/mol
LogP3.50
Rot. Bonds5

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

ethyl (3R,5R)-2-benzyl-3-phenyl-1,2-oxazolidine-5-carboxylate (PubChem CID 11809099) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is ethyl (3R,5R)-2-benzyl-3-phenyl-1,2-oxazolidine-5-carboxylate.

Molecular Properties

Compound Nameethyl (3R,5R)-2-benzyl-3-phenyl-1,2-oxazolidine-5-carboxylate
PubChem CID11809099
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Nameethyl (3R,5R)-2-benzyl-3-phenyl-1,2-oxazolidine-5-carboxylate
SMILESCCOC(=O)[C@H]1C[C@H](c2ccccc2)N(Cc2ccccc2)O1
InChIInChI=1S/C19H21NO3/c1-2-22-19(21)18-13-17(16-11-7-4-8-12-16)20(23-18)14-15-9-5-3-6-10-15/h3-12,17-18H,2,13-14H2,1H3/t17-,18-/m1/s1
InChIKeyXTVHUACRTUOKGK-QZTJIDSGSA-N
XLogP3.50
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-Methyl-3-phenyltetrahydro-5-isoxazolyl)methyl benzenecarboxylate
CID 3660797
Methyl 2,3-diphenyl-1,2-oxazolidine-5-carboxylate
CID 330343
Ethyl 2-(diphenylmethyl)-3-[4-(trifluoromethyl)phenyl]isoxazolidine-5-carboxylate
CID 129842705
(3S,4R)-2-benzyl-4-methyl-3-phenyl-1,2-oxazolidin-5-one
CID 11402901
ethyl (3R,4R)-1,4-dibenzyl-3-fluoropyrrolidine-3-carboxylate
CID 57900623
rac-(3R,4R)-1,4-Dibenzyl-3-fluoro-pyrrolidine-3-carboxylic acid ethyl ester
CID 68935190
ethyl (3S,4R)-1,4-dibenzyl-3-fluoropyrrolidine-3-carboxylate
CID 161062164
(3S,4S)-2-benzyl-4-hydroxy-3-phenyl-1,2-oxazolidin-5-one
CID 10825839
ethyl (3R,5R)-2-benzyl-5-methyl-3-phenyl-1,2-oxazolidine-5-carboxylate
CID 10881912
ethyl (3R,4R)-2-benzyl-3-phenyl-1,2-oxazolidine-4-carboxylate
CID 10979848
ethyl (3R,4S)-2-benzyl-3-phenyl-1,2-oxazolidine-4-carboxylate
CID 11056031
diethyl 2-benzyl-3-phenyl-3H-1,2-oxazole-4,5-dicarboxylate
CID 11603339

Frequently Asked Questions

What is the IUPAC name of ethyl (3R,5R)-2-benzyl-3-phenyl-1,2-oxazolidine-5-carboxylate?
The IUPAC name of ethyl (3R,5R)-2-benzyl-3-phenyl-1,2-oxazolidine-5-carboxylate (CID 11809099) is ethyl (3R,5R)-2-benzyl-3-phenyl-1,2-oxazolidine-5-carboxylate.
What is the SMILES notation for ethyl (3R,5R)-2-benzyl-3-phenyl-1,2-oxazolidine-5-carboxylate?
The canonical SMILES for ethyl (3R,5R)-2-benzyl-3-phenyl-1,2-oxazolidine-5-carboxylate is CCOC(=O)[C@H]1C[C@H](c2ccccc2)N(Cc2ccccc2)O1.
What is the InChIKey of ethyl (3R,5R)-2-benzyl-3-phenyl-1,2-oxazolidine-5-carboxylate?
The InChIKey is XTVHUACRTUOKGK-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H21NO3/c1-2-22-19(21)18-13-17(16-11-7-4-8-12-16)20(23-18)14-15-9-5-3-6-10-15/h3-12,17-18H,2,13-14H2,1H3/t17-,18-/m1/s1.
What are the key properties of ethyl (3R,5R)-2-benzyl-3-phenyl-1,2-oxazolidine-5-carboxylate?
ethyl (3R,5R)-2-benzyl-3-phenyl-1,2-oxazolidine-5-carboxylate has a molecular weight of 311.38 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R,5R)-2-benzyl-3-phenyl-1,2-oxazolidine-5-carboxylate is sourced from PubChem (CID 11809099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).