dimethyl 2-methyl-5-phenyl-1,2-oxazolidine-3,3-dicarboxylate

C14H17NO5 — CID 613303

IUPACdimethyl 2-methyl-5-phenyl-1,2-oxazolidine-3,3-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)CC(c2ccccc2)ON1C
InChIInChI=1S/C14H17NO5/c1-15-14(12(16)18-2,13(17)19-3)9-11(20-15)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3
InChIKeySKFIEHHPUAOZNR-UHFFFAOYSA-N
MW279.29 g/mol
LogP1.08
Rot. Bonds3

About dimethyl 2-methyl-5-phenyl-1,2-oxazolidine-3,3-dicarboxylate

dimethyl 2-methyl-5-phenyl-1,2-oxazolidine-3,3-dicarboxylate (PubChem CID 613303) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is dimethyl 2-methyl-5-phenyl-1,2-oxazolidine-3,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-methyl-5-phenyl-1,2-oxazolidine-3,3-dicarboxylate
PubChem CID613303
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Namedimethyl 2-methyl-5-phenyl-1,2-oxazolidine-3,3-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)CC(c2ccccc2)ON1C
InChIInChI=1S/C14H17NO5/c1-15-14(12(16)18-2,13(17)19-3)9-11(20-15)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3
InChIKeySKFIEHHPUAOZNR-UHFFFAOYSA-N
XLogP1.08
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 ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

methyl (4R,5R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidine-4-carboxylate
CID 134567498
methyl (4R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidine-4-carboxylate
CID 145228926
methyl (3S,4R,5E)-5-(2-methoxy-2-oxoethylidene)-3-[(S)-methoxy(phenyl)methyl]-2-methyl-1,2-oxazolidine-4-carboxylate
CID 134998633
Trimethyl 2-methyl-5-phenyl-3,3,4-isoxazolidinetricarboxylate
CID 91740550
Trimethyl 2-methyl-5-phenyl-1,2-oxazolidine-3,3,4-tricarboxylate
CID 624197
benzyl (3R,5R)-2,5-dimethyl-5-phenyl-1,2-oxazolidine-3-carboxylate
CID 10859893
ethyl (3R,4S)-2,4-dimethyl-5,5-diphenyl-1,2-oxazolidine-3-carboxylate
CID 10860353
ethyl (3S,5R)-2,5-dimethyl-5-phenyl-1,2-oxazolidine-3-carboxylate
CID 10955944
ethyl (3R,5R)-2-methyl-5-phenyl-1,2-oxazolidine-3-carboxylate
CID 10988222
propan-2-yl (3R,5R)-2,5-dimethyl-5-phenyl-1,2-oxazolidine-3-carboxylate
CID 10999890
ethyl (3R,5R)-2,5-dimethyl-5-phenyl-1,2-oxazolidine-3-carboxylate
CID 11010351
ethyl (3S,5R)-2-methyl-5-phenyl-1,2-oxazolidine-3-carboxylate
CID 11020851

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-methyl-5-phenyl-1,2-oxazolidine-3,3-dicarboxylate?
The IUPAC name of dimethyl 2-methyl-5-phenyl-1,2-oxazolidine-3,3-dicarboxylate (CID 613303) is dimethyl 2-methyl-5-phenyl-1,2-oxazolidine-3,3-dicarboxylate.
What is the SMILES notation for dimethyl 2-methyl-5-phenyl-1,2-oxazolidine-3,3-dicarboxylate?
The canonical SMILES for dimethyl 2-methyl-5-phenyl-1,2-oxazolidine-3,3-dicarboxylate is COC(=O)C1(C(=O)OC)CC(c2ccccc2)ON1C.
What is the InChIKey of dimethyl 2-methyl-5-phenyl-1,2-oxazolidine-3,3-dicarboxylate?
The InChIKey is SKFIEHHPUAOZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO5/c1-15-14(12(16)18-2,13(17)19-3)9-11(20-15)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3.
What are the key properties of dimethyl 2-methyl-5-phenyl-1,2-oxazolidine-3,3-dicarboxylate?
dimethyl 2-methyl-5-phenyl-1,2-oxazolidine-3,3-dicarboxylate has a molecular weight of 279.29 g/mol, XLogP of 1.08, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-methyl-5-phenyl-1,2-oxazolidine-3,3-dicarboxylate is sourced from PubChem (CID 613303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).