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

C19H21NO3 — CID 10979848

IUPACethyl (3R,4R)-2-benzyl-3-phenyl-1,2-oxazolidine-4-carboxylate
SMILESCCOC(=O)[C@H]1CON(Cc2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C19H21NO3/c1-2-22-19(21)17-14-23-20(13-15-9-5-3-6-10-15)18(17)16-11-7-4-8-12-16/h3-12,17-18H,2,13-14H2,1H3/t17-,18-/m0/s1
InChIKeyJZTRPCRYCWFFEG-ROUUACIJSA-N
MW311.38 g/mol
LogP3.35
Rot. Bonds5

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

ethyl (3R,4R)-2-benzyl-3-phenyl-1,2-oxazolidine-4-carboxylate (PubChem CID 10979848) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is ethyl (3R,4R)-2-benzyl-3-phenyl-1,2-oxazolidine-4-carboxylate.

Molecular Properties

Compound Nameethyl (3R,4R)-2-benzyl-3-phenyl-1,2-oxazolidine-4-carboxylate
PubChem CID10979848
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Nameethyl (3R,4R)-2-benzyl-3-phenyl-1,2-oxazolidine-4-carboxylate
SMILESCCOC(=O)[C@H]1CON(Cc2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C19H21NO3/c1-2-22-19(21)17-14-23-20(13-15-9-5-3-6-10-15)18(17)16-11-7-4-8-12-16/h3-12,17-18H,2,13-14H2,1H3/t17-,18-/m0/s1
InChIKeyJZTRPCRYCWFFEG-ROUUACIJSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 78324789
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CID 2766902
Ethyl 3-[benzyl(methyl)amino]-2-cyclohexyl-3-oxopropanoate
CID 2899015
Butaverine
CID 189889
Acetic acid, diphenyl-, 2-(1-ethyl-2-pyrrolidinyl)ethyl ester
CID 59355
Acetic acid, diphenyl-, 2-(1-methyl-2-pyrrolidinyl)ethyl ester
CID 59679
Diethyl 2-[(dibenzylamino)-[4-(trifluoromethyl)phenyl]methyl]propanedioate
CID 90854474
ethyl (2R,3S)-3-benzyl-1-[(1R)-1-phenylethyl]pyrrolidine-2-carboxylate
CID 11439134
ethyl (3S,4R,5S)-2-methyl-3,5-diphenyl-5-(trifluoromethyl)-1,2-oxazolidine-4-carboxylate
CID 391367
(3S,4R,5R)-5-Hydroxy-2-methyl-3-phenyl-5-trifluoromethyl-isoxazolidine-4-carboxylic acid ethyl ester
CID 10892526
ethyl (3S,4R)-1-benzyl-4-phenyl-4-(trifluoromethyl)pyrrolidine-3-carboxylate
CID 11025231
Ethyl 2-(diphenylmethyl)-3-[4-(trifluoromethyl)phenyl]isoxazolidine-4-carboxylate
CID 129842455

Frequently Asked Questions

What is the IUPAC name of ethyl (3R,4R)-2-benzyl-3-phenyl-1,2-oxazolidine-4-carboxylate?
The IUPAC name of ethyl (3R,4R)-2-benzyl-3-phenyl-1,2-oxazolidine-4-carboxylate (CID 10979848) is ethyl (3R,4R)-2-benzyl-3-phenyl-1,2-oxazolidine-4-carboxylate.
What is the SMILES notation for ethyl (3R,4R)-2-benzyl-3-phenyl-1,2-oxazolidine-4-carboxylate?
The canonical SMILES for ethyl (3R,4R)-2-benzyl-3-phenyl-1,2-oxazolidine-4-carboxylate is CCOC(=O)[C@H]1CON(Cc2ccccc2)[C@H]1c1ccccc1.
What is the InChIKey of ethyl (3R,4R)-2-benzyl-3-phenyl-1,2-oxazolidine-4-carboxylate?
The InChIKey is JZTRPCRYCWFFEG-ROUUACIJSA-N. The full InChI is InChI=1S/C19H21NO3/c1-2-22-19(21)17-14-23-20(13-15-9-5-3-6-10-15)18(17)16-11-7-4-8-12-16/h3-12,17-18H,2,13-14H2,1H3/t17-,18-/m0/s1.
What are the key properties of ethyl (3R,4R)-2-benzyl-3-phenyl-1,2-oxazolidine-4-carboxylate?
ethyl (3R,4R)-2-benzyl-3-phenyl-1,2-oxazolidine-4-carboxylate has a molecular weight of 311.38 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R,4R)-2-benzyl-3-phenyl-1,2-oxazolidine-4-carboxylate is sourced from PubChem (CID 10979848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).