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

C15H19NO5 — CID 91603229

IUPACdimethyl (3S,4S,5R)-2-methyl-3-(4-methylphenyl)-1,2-oxazolidine-4,5-dicarboxylate
SMILESCOC(=O)[C@H]1[C@@H](c2ccc(C)cc2)N(C)O[C@H]1C(=O)OC
InChIInChI=1S/C15H19NO5/c1-9-5-7-10(8-6-9)12-11(14(17)19-3)13(15(18)20-4)21-16(12)2/h5-8,11-13H,1-4H3/t11-,12+,13+/m0/s1
InChIKeySKHGQHOXYCHQPT-YNEHKIRRSA-N
MW293.32 g/mol
LogP1.24
Rot. Bonds3

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

dimethyl (3S,4S,5R)-2-methyl-3-(4-methylphenyl)-1,2-oxazolidine-4,5-dicarboxylate (PubChem CID 91603229) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is dimethyl (3S,4S,5R)-2-methyl-3-(4-methylphenyl)-1,2-oxazolidine-4,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl (3S,4S,5R)-2-methyl-3-(4-methylphenyl)-1,2-oxazolidine-4,5-dicarboxylate
PubChem CID91603229
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Namedimethyl (3S,4S,5R)-2-methyl-3-(4-methylphenyl)-1,2-oxazolidine-4,5-dicarboxylate
SMILESCOC(=O)[C@H]1[C@@H](c2ccc(C)cc2)N(C)O[C@H]1C(=O)OC
InChIInChI=1S/C15H19NO5/c1-9-5-7-10(8-6-9)12-11(14(17)19-3)13(15(18)20-4)21-16(12)2/h5-8,11-13H,1-4H3/t11-,12+,13+/m0/s1
InChIKeySKHGQHOXYCHQPT-YNEHKIRRSA-N
XLogP1.24
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

diethyl (4S,5R)-2-benzyl-1,2-oxazolidine-4,5-dicarboxylate
CID 23583730
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
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
2-Benzyl-3-methyl-1,2-oxazolidine-4,5-dicarboxylic acid
CID 90849042
dimethyl (3S,4R)-3-(4-bromophenyl)-2-methyl-1,2-oxazolidine-4,5-dicarboxylate
CID 91030780
dibutyl (4R,5R)-2,3-diphenyl-1,2-oxazolidine-4,5-dicarboxylate
CID 100975081
ethyl (3R,5S)-2-benzyl-5-methyl-3-phenyl-1,2-oxazolidine-5-carboxylate
CID 101179648
N-methoxy-3-phenyl-5-carbomethoxyisoxazolidine
CID 129806750
Ethyl 2-(diphenylmethyl)-3-[4-(1-methylethyl)phenyl]isoxazolidine-5-carboxylate
CID 129842465

Frequently Asked Questions

What is the IUPAC name of dimethyl (3S,4S,5R)-2-methyl-3-(4-methylphenyl)-1,2-oxazolidine-4,5-dicarboxylate?
The IUPAC name of dimethyl (3S,4S,5R)-2-methyl-3-(4-methylphenyl)-1,2-oxazolidine-4,5-dicarboxylate (CID 91603229) is dimethyl (3S,4S,5R)-2-methyl-3-(4-methylphenyl)-1,2-oxazolidine-4,5-dicarboxylate.
What is the SMILES notation for dimethyl (3S,4S,5R)-2-methyl-3-(4-methylphenyl)-1,2-oxazolidine-4,5-dicarboxylate?
The canonical SMILES for dimethyl (3S,4S,5R)-2-methyl-3-(4-methylphenyl)-1,2-oxazolidine-4,5-dicarboxylate is COC(=O)[C@H]1[C@@H](c2ccc(C)cc2)N(C)O[C@H]1C(=O)OC.
What is the InChIKey of dimethyl (3S,4S,5R)-2-methyl-3-(4-methylphenyl)-1,2-oxazolidine-4,5-dicarboxylate?
The InChIKey is SKHGQHOXYCHQPT-YNEHKIRRSA-N. The full InChI is InChI=1S/C15H19NO5/c1-9-5-7-10(8-6-9)12-11(14(17)19-3)13(15(18)20-4)21-16(12)2/h5-8,11-13H,1-4H3/t11-,12+,13+/m0/s1.
What are the key properties of dimethyl (3S,4S,5R)-2-methyl-3-(4-methylphenyl)-1,2-oxazolidine-4,5-dicarboxylate?
dimethyl (3S,4S,5R)-2-methyl-3-(4-methylphenyl)-1,2-oxazolidine-4,5-dicarboxylate has a molecular weight of 293.32 g/mol, XLogP of 1.24, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (3S,4S,5R)-2-methyl-3-(4-methylphenyl)-1,2-oxazolidine-4,5-dicarboxylate is sourced from PubChem (CID 91603229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).