dimethyl (3R,4S,5R)-2-methyl-3-phenyl-1,2-oxazolidine-4,5-dicarboxylate

C14H17NO5 — CID 11231289

IUPACdimethyl (3R,4S,5R)-2-methyl-3-phenyl-1,2-oxazolidine-4,5-dicarboxylate
SMILESCOC(=O)[C@@H]1[C@H](C(=O)OC)ON(C)[C@H]1c1ccccc1
InChIInChI=1S/C14H17NO5/c1-15-11(9-7-5-4-6-8-9)10(13(16)18-2)12(20-15)14(17)19-3/h4-8,10-12H,1-3H3/t10-,11-,12+/m0/s1
InChIKeyYBMMIKWTFJJVAT-SDDRHHMPSA-N
MW279.29 g/mol
LogP0.94
Rot. Bonds3

About dimethyl (3R,4S,5R)-2-methyl-3-phenyl-1,2-oxazolidine-4,5-dicarboxylate

dimethyl (3R,4S,5R)-2-methyl-3-phenyl-1,2-oxazolidine-4,5-dicarboxylate (PubChem CID 11231289) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is dimethyl (3R,4S,5R)-2-methyl-3-phenyl-1,2-oxazolidine-4,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl (3R,4S,5R)-2-methyl-3-phenyl-1,2-oxazolidine-4,5-dicarboxylate
PubChem CID11231289
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Namedimethyl (3R,4S,5R)-2-methyl-3-phenyl-1,2-oxazolidine-4,5-dicarboxylate
SMILESCOC(=O)[C@@H]1[C@H](C(=O)OC)ON(C)[C@H]1c1ccccc1
InChIInChI=1S/C14H17NO5/c1-15-11(9-7-5-4-6-8-9)10(13(16)18-2)12(20-15)14(17)19-3/h4-8,10-12H,1-3H3/t10-,11-,12+/m0/s1
InChIKeyYBMMIKWTFJJVAT-SDDRHHMPSA-N
XLogP0.94
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 5-hydroxy-2-methyl-3-phenyl-5-(trifluoromethyl)tetrahydro-4-isoxazolecarboxylate
CID 2766902
(3S,4R,5R)-5-Hydroxy-2-methyl-3-phenyl-5-trifluoromethyl-isoxazolidine-4-carboxylic acid ethyl ester
CID 10892526
diethyl (4S,5R)-2-benzyl-1,2-oxazolidine-4,5-dicarboxylate
CID 23583730
Dimethyl 2-methyl-3-phenyloxazinane-4,4-dicarboxylate
CID 10040035
dimethyl (3R,6R)-6-ethenyl-2-methyl-3-phenyloxazinane-4,4-dicarboxylate
CID 10245383
ethyl (3R,5R)-2-benzyl-5-methyl-3-phenyl-1,2-oxazolidine-5-carboxylate
CID 10881912
ethyl (3R,5R)-2-benzyl-3-phenyl-1,2-oxazolidine-5-carboxylate
CID 11809099
diethyl (3R,6R)-6-ethenyl-2-methyl-3-phenyloxazinane-4,4-dicarboxylate
CID 12062651
ethyl (3R,5S)-2-benzyl-3-phenyl-1,2-oxazolidine-5-carboxylate
CID 12140989
Methyl 2-methyl-5-methylidene-3-phenyl-1,2-oxazolidine-4-carboxylate
CID 13811279
methyl (3R,4R)-2-methyl-5-methylidene-3-phenyl-1,2-oxazolidine-4-carboxylate
CID 13811280
Methyl 2,4-dimethyl-5-methylidene-3-phenyl-1,2-oxazolidine-4-carboxylate
CID 13811282

Frequently Asked Questions

What is the IUPAC name of dimethyl (3R,4S,5R)-2-methyl-3-phenyl-1,2-oxazolidine-4,5-dicarboxylate?
The IUPAC name of dimethyl (3R,4S,5R)-2-methyl-3-phenyl-1,2-oxazolidine-4,5-dicarboxylate (CID 11231289) is dimethyl (3R,4S,5R)-2-methyl-3-phenyl-1,2-oxazolidine-4,5-dicarboxylate.
What is the SMILES notation for dimethyl (3R,4S,5R)-2-methyl-3-phenyl-1,2-oxazolidine-4,5-dicarboxylate?
The canonical SMILES for dimethyl (3R,4S,5R)-2-methyl-3-phenyl-1,2-oxazolidine-4,5-dicarboxylate is COC(=O)[C@@H]1[C@H](C(=O)OC)ON(C)[C@H]1c1ccccc1.
What is the InChIKey of dimethyl (3R,4S,5R)-2-methyl-3-phenyl-1,2-oxazolidine-4,5-dicarboxylate?
The InChIKey is YBMMIKWTFJJVAT-SDDRHHMPSA-N. The full InChI is InChI=1S/C14H17NO5/c1-15-11(9-7-5-4-6-8-9)10(13(16)18-2)12(20-15)14(17)19-3/h4-8,10-12H,1-3H3/t10-,11-,12+/m0/s1.
What are the key properties of dimethyl (3R,4S,5R)-2-methyl-3-phenyl-1,2-oxazolidine-4,5-dicarboxylate?
dimethyl (3R,4S,5R)-2-methyl-3-phenyl-1,2-oxazolidine-4,5-dicarboxylate has a molecular weight of 279.29 g/mol, XLogP of 0.94, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (3R,4S,5R)-2-methyl-3-phenyl-1,2-oxazolidine-4,5-dicarboxylate is sourced from PubChem (CID 11231289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).