ethyl 5-methyl-2,3-diphenyl-1,2-oxazolidine-4-carboxylate

C19H21NO3 — CID 23270968

IUPACethyl 5-methyl-2,3-diphenyl-1,2-oxazolidine-4-carboxylate
SMILESCCOC(=O)C1C(C)ON(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C19H21NO3/c1-3-22-19(21)17-14(2)23-20(16-12-8-5-9-13-16)18(17)15-10-6-4-7-11-15/h4-14,17-18H,3H2,1-2H3
InChIKeyZFLZZXBSJSIIMJ-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.75
Rot. Bonds4

About ethyl 5-methyl-2,3-diphenyl-1,2-oxazolidine-4-carboxylate

ethyl 5-methyl-2,3-diphenyl-1,2-oxazolidine-4-carboxylate (PubChem CID 23270968) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is ethyl 5-methyl-2,3-diphenyl-1,2-oxazolidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-2,3-diphenyl-1,2-oxazolidine-4-carboxylate
PubChem CID23270968
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Nameethyl 5-methyl-2,3-diphenyl-1,2-oxazolidine-4-carboxylate
SMILESCCOC(=O)C1C(C)ON(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C19H21NO3/c1-3-22-19(21)17-14(2)23-20(16-12-8-5-9-13-16)18(17)15-10-6-4-7-11-15/h4-14,17-18H,3H2,1-2H3
InChIKeyZFLZZXBSJSIIMJ-UHFFFAOYSA-N
XLogP3.75
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4R,5S)-5-methyl-2,3-diphenyl-1,2-oxazolidine-4-carboxamide
CID 10517014
[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl] 5-methyl-2,3-diphenyl-1,2-oxazolidine-4-carboxylate
CID 45277358
ethyl (3R,5R)-3-amino-2-phenyl-1,2-oxazolidine-5-carboxylate
CID 139232497
diethyl (1R,2S,3R,4S)-3,4-diphenylcyclobutane-1,2-dicarboxylate
CID 15261796
ethyl (1R,5S)-3-phenyl-3-azabicyclo[3.1.0]hexane-6-carboxylate
CID 153306997
ethyl 3-phenyl-3-azabicyclo[3.1.0]hexane-6-carboxylate
CID 89462859
ethyl (4R,5R)-3,4-diphenyl-1,3-oxazolidine-5-carboxylate
CID 102320644
ethyl (3S,4R,5S)-3-(4-chlorophenyl)-1,2-dimethyl-5-phenylpyrazolidine-4-carboxylate
CID 11739857
ethyl 2,2-dimethyl-3,4-diphenyl-1,3-oxazolidine-5-carboxylate
CID 101100107
1-[(3S,4R,5S)-5-ethyl-2,3-diphenyl-1,2-oxazolidin-4-yl]-2-hydroxy-2-methylpropan-1-one
CID 101374519
ethyl (2S,3R,5R,6R)-3,5-dimethyl-4-oxo-2,6-diphenylpiperidine-1-carboxylate
CID 102317060
(3S,4S,5S)-4-[(4-ethoxyphenyl)carbamoyl]-2,3-diphenyl-1,2-oxazolidine-5-carboxylic acid
CID 26370580

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-2,3-diphenyl-1,2-oxazolidine-4-carboxylate?
The IUPAC name of ethyl 5-methyl-2,3-diphenyl-1,2-oxazolidine-4-carboxylate (CID 23270968) is ethyl 5-methyl-2,3-diphenyl-1,2-oxazolidine-4-carboxylate.
What is the SMILES notation for ethyl 5-methyl-2,3-diphenyl-1,2-oxazolidine-4-carboxylate?
The canonical SMILES for ethyl 5-methyl-2,3-diphenyl-1,2-oxazolidine-4-carboxylate is CCOC(=O)C1C(C)ON(c2ccccc2)C1c1ccccc1.
What is the InChIKey of ethyl 5-methyl-2,3-diphenyl-1,2-oxazolidine-4-carboxylate?
The InChIKey is ZFLZZXBSJSIIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-3-22-19(21)17-14(2)23-20(16-12-8-5-9-13-16)18(17)15-10-6-4-7-11-15/h4-14,17-18H,3H2,1-2H3.
What are the key properties of ethyl 5-methyl-2,3-diphenyl-1,2-oxazolidine-4-carboxylate?
ethyl 5-methyl-2,3-diphenyl-1,2-oxazolidine-4-carboxylate has a molecular weight of 311.38 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-2,3-diphenyl-1,2-oxazolidine-4-carboxylate is sourced from PubChem (CID 23270968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).