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

C20H21NO5 — CID 10043756

IUPACdimethyl (2S,5S)-3-methyl-2,5-diphenyl-1,3-oxazolidine-4,4-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)[C@H](c2ccccc2)O[C@@H](c2ccccc2)N1C
InChIInChI=1S/C20H21NO5/c1-21-17(15-12-8-5-9-13-15)26-16(14-10-6-4-7-11-14)20(21,18(22)24-2)19(23)25-3/h4-13,16-17H,1-3H3/t16-,17-/m0/s1
InChIKeyBIWHXTCPVDYCQE-IRXDYDNUSA-N
MW355.39 g/mol
LogP2.47
Rot. Bonds4

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

dimethyl (2S,5S)-3-methyl-2,5-diphenyl-1,3-oxazolidine-4,4-dicarboxylate (PubChem CID 10043756) has the molecular formula C20H21NO5 and a molecular weight of 355.39 g/mol. Its IUPAC name is dimethyl (2S,5S)-3-methyl-2,5-diphenyl-1,3-oxazolidine-4,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl (2S,5S)-3-methyl-2,5-diphenyl-1,3-oxazolidine-4,4-dicarboxylate
PubChem CID10043756
Molecular FormulaC20H21NO5
Molecular Weight355.39 g/mol
Exact Mass355.14
IUPAC Namedimethyl (2S,5S)-3-methyl-2,5-diphenyl-1,3-oxazolidine-4,4-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)[C@H](c2ccccc2)O[C@@H](c2ccccc2)N1C
InChIInChI=1S/C20H21NO5/c1-21-17(15-12-8-5-9-13-15)26-16(14-10-6-4-7-11-14)20(21,18(22)24-2)19(23)25-3/h4-13,16-17H,1-3H3/t16-,17-/m0/s1
InChIKeyBIWHXTCPVDYCQE-IRXDYDNUSA-N
XLogP2.47
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.47
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

dimethyl (2R,5S)-3-(4-methylphenyl)sulfonyl-2,5-diphenyl-1,3-oxazolidine-4,4-dicarboxylate
CID 132522758
methyl 3-benzhydryl-4-methyl-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate
CID 12010021
methyl (1S,3S,3aS,6S,6aR)-4-oxo-1,3,6-triphenyl-1,3,6,6a-tetrahydrofuro[3,4-c]furan-3a-carboxylate
CID 177446641
dimethyl 5-ethyl-4-methylidene-2-phenyloxolane-3,3-dicarboxylate
CID 101161340
dimethyl (1R,3aR,6aS)-2-methyl-4,6-dioxo-1,5-diphenyl-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole-3,3-dicarboxylate
CID 134924767
diethyl (2R,5S)-2-(4-chlorophenyl)-3-methylsulfonyl-5-phenyl-1,3-oxazolidine-4,4-dicarboxylate
CID 132522763
dipropan-2-yl (2R,5S)-5-(4-bromophenyl)-3-methylsulfonyl-2-phenyl-1,3-oxazolidine-4,4-dicarboxylate
CID 175667867
methyl (4R,5R)-5-phenyl-4-propan-2-yl-5H-1,3-oxazole-4-carboxylate
CID 10966829
methyl (1S,2R,3R)-2-methyl-1,3-diphenylcyclopropane-1-carboxylate
CID 102081874
trans-methyl (1S,2R)-2-phenyl-1-trimethylsilylcyclopropane-1-carboxylate
CID 44612781
dimethyl (2S,5R)-5-phenyl-2-thiophen-2-yloxolane-3,3-dicarboxylate
CID 11537523
dimethyl (1S,3aR,6aS)-5-methyl-4,6-dioxo-1-phenyl-3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,3-dicarboxylate
CID 98545811

Frequently Asked Questions

What is the IUPAC name of dimethyl (2S,5S)-3-methyl-2,5-diphenyl-1,3-oxazolidine-4,4-dicarboxylate?
The IUPAC name of dimethyl (2S,5S)-3-methyl-2,5-diphenyl-1,3-oxazolidine-4,4-dicarboxylate (CID 10043756) is dimethyl (2S,5S)-3-methyl-2,5-diphenyl-1,3-oxazolidine-4,4-dicarboxylate.
What is the SMILES notation for dimethyl (2S,5S)-3-methyl-2,5-diphenyl-1,3-oxazolidine-4,4-dicarboxylate?
The canonical SMILES for dimethyl (2S,5S)-3-methyl-2,5-diphenyl-1,3-oxazolidine-4,4-dicarboxylate is COC(=O)C1(C(=O)OC)[C@H](c2ccccc2)O[C@@H](c2ccccc2)N1C.
What is the InChIKey of dimethyl (2S,5S)-3-methyl-2,5-diphenyl-1,3-oxazolidine-4,4-dicarboxylate?
The InChIKey is BIWHXTCPVDYCQE-IRXDYDNUSA-N. The full InChI is InChI=1S/C20H21NO5/c1-21-17(15-12-8-5-9-13-15)26-16(14-10-6-4-7-11-14)20(21,18(22)24-2)19(23)25-3/h4-13,16-17H,1-3H3/t16-,17-/m0/s1.
What are the key properties of dimethyl (2S,5S)-3-methyl-2,5-diphenyl-1,3-oxazolidine-4,4-dicarboxylate?
dimethyl (2S,5S)-3-methyl-2,5-diphenyl-1,3-oxazolidine-4,4-dicarboxylate has a molecular weight of 355.39 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2S,5S)-3-methyl-2,5-diphenyl-1,3-oxazolidine-4,4-dicarboxylate is sourced from PubChem (CID 10043756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).