3-O-ethyl 4-O-methyl (3S,4S,5S)-2-methyl-5-phenyl-1,2-oxazolidine-3,4-dicarboxylate

C15H19NO5 — CID 102049644

IUPAC3-O-ethyl 4-O-methyl (3S,4S,5S)-2-methyl-5-phenyl-1,2-oxazolidine-3,4-dicarboxylate
SMILESCCOC(=O)[C@@H]1[C@H](C(=O)OC)[C@@H](c2ccccc2)ON1C
InChIInChI=1S/C15H19NO5/c1-4-20-15(18)12-11(14(17)19-3)13(21-16(12)2)10-8-6-5-7-9-10/h5-9,11-13H,4H2,1-3H3/t11-,12-,13+/m0/s1
InChIKeyWIAGWNRGGCZQDJ-RWMBFGLXSA-N
MW293.32 g/mol
LogP1.33
Rot. Bonds4

About 3-O-ethyl 4-O-methyl (3S,4S,5S)-2-methyl-5-phenyl-1,2-oxazolidine-3,4-dicarboxylate

3-O-ethyl 4-O-methyl (3S,4S,5S)-2-methyl-5-phenyl-1,2-oxazolidine-3,4-dicarboxylate (PubChem CID 102049644) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 3-O-ethyl 4-O-methyl (3S,4S,5S)-2-methyl-5-phenyl-1,2-oxazolidine-3,4-dicarboxylate.

Molecular Properties

Compound Name3-O-ethyl 4-O-methyl (3S,4S,5S)-2-methyl-5-phenyl-1,2-oxazolidine-3,4-dicarboxylate
PubChem CID102049644
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name3-O-ethyl 4-O-methyl (3S,4S,5S)-2-methyl-5-phenyl-1,2-oxazolidine-3,4-dicarboxylate
SMILESCCOC(=O)[C@@H]1[C@H](C(=O)OC)[C@@H](c2ccccc2)ON1C
InChIInChI=1S/C15H19NO5/c1-4-20-15(18)12-11(14(17)19-3)13(21-16(12)2)10-8-6-5-7-9-10/h5-9,11-13H,4H2,1-3H3/t11-,12-,13+/m0/s1
InChIKeyWIAGWNRGGCZQDJ-RWMBFGLXSA-N
XLogP1.33
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-O-ethyl 4-O-methyl (3S,4S,5S)-2-methyl-5-phenyl-1,2-oxazolidine-3,4-dicarboxylate?
The IUPAC name of 3-O-ethyl 4-O-methyl (3S,4S,5S)-2-methyl-5-phenyl-1,2-oxazolidine-3,4-dicarboxylate (CID 102049644) is 3-O-ethyl 4-O-methyl (3S,4S,5S)-2-methyl-5-phenyl-1,2-oxazolidine-3,4-dicarboxylate.
What is the SMILES notation for 3-O-ethyl 4-O-methyl (3S,4S,5S)-2-methyl-5-phenyl-1,2-oxazolidine-3,4-dicarboxylate?
The canonical SMILES for 3-O-ethyl 4-O-methyl (3S,4S,5S)-2-methyl-5-phenyl-1,2-oxazolidine-3,4-dicarboxylate is CCOC(=O)[C@@H]1[C@H](C(=O)OC)[C@@H](c2ccccc2)ON1C.
What is the InChIKey of 3-O-ethyl 4-O-methyl (3S,4S,5S)-2-methyl-5-phenyl-1,2-oxazolidine-3,4-dicarboxylate?
The InChIKey is WIAGWNRGGCZQDJ-RWMBFGLXSA-N. The full InChI is InChI=1S/C15H19NO5/c1-4-20-15(18)12-11(14(17)19-3)13(21-16(12)2)10-8-6-5-7-9-10/h5-9,11-13H,4H2,1-3H3/t11-,12-,13+/m0/s1.
What are the key properties of 3-O-ethyl 4-O-methyl (3S,4S,5S)-2-methyl-5-phenyl-1,2-oxazolidine-3,4-dicarboxylate?
3-O-ethyl 4-O-methyl (3S,4S,5S)-2-methyl-5-phenyl-1,2-oxazolidine-3,4-dicarboxylate has a molecular weight of 293.32 g/mol, XLogP of 1.33, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-O-ethyl 4-O-methyl (3S,4S,5S)-2-methyl-5-phenyl-1,2-oxazolidine-3,4-dicarboxylate is sourced from PubChem (CID 102049644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).