benzyl (2R,4S)-5-oxo-2,4-diphenyl-1,3-oxazolidine-3-carboxylate

C23H19NO4 — CID 10861658

IUPACbenzyl (2R,4S)-5-oxo-2,4-diphenyl-1,3-oxazolidine-3-carboxylate
SMILESO=C1O[C@H](c2ccccc2)N(C(=O)OCc2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C23H19NO4/c25-22-20(18-12-6-2-7-13-18)24(21(28-22)19-14-8-3-9-15-19)23(26)27-16-17-10-4-1-5-11-17/h1-15,20-21H,16H2/t20-,21+/m0/s1
InChIKeyVUHAXUDTXAGDSL-LEWJYISDSA-N
MW373.41 g/mol
LogP4.62
Rot. Bonds4

About benzyl (2R,4S)-5-oxo-2,4-diphenyl-1,3-oxazolidine-3-carboxylate

benzyl (2R,4S)-5-oxo-2,4-diphenyl-1,3-oxazolidine-3-carboxylate (PubChem CID 10861658) has the molecular formula C23H19NO4 and a molecular weight of 373.41 g/mol. Its IUPAC name is benzyl (2R,4S)-5-oxo-2,4-diphenyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Namebenzyl (2R,4S)-5-oxo-2,4-diphenyl-1,3-oxazolidine-3-carboxylate
PubChem CID10861658
Molecular FormulaC23H19NO4
Molecular Weight373.41 g/mol
Exact Mass373.13
IUPAC Namebenzyl (2R,4S)-5-oxo-2,4-diphenyl-1,3-oxazolidine-3-carboxylate
SMILESO=C1O[C@H](c2ccccc2)N(C(=O)OCc2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C23H19NO4/c25-22-20(18-12-6-2-7-13-18)24(21(28-22)19-14-8-3-9-15-19)23(26)27-16-17-10-4-1-5-11-17/h1-15,20-21H,16H2/t20-,21+/m0/s1
InChIKeyVUHAXUDTXAGDSL-LEWJYISDSA-N
XLogP4.62
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzyl (2R,4S)-5-oxo-2,4-diphenyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of benzyl (2R,4S)-5-oxo-2,4-diphenyl-1,3-oxazolidine-3-carboxylate (CID 10861658) is benzyl (2R,4S)-5-oxo-2,4-diphenyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for benzyl (2R,4S)-5-oxo-2,4-diphenyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for benzyl (2R,4S)-5-oxo-2,4-diphenyl-1,3-oxazolidine-3-carboxylate is O=C1O[C@H](c2ccccc2)N(C(=O)OCc2ccccc2)[C@H]1c1ccccc1.
What is the InChIKey of benzyl (2R,4S)-5-oxo-2,4-diphenyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is VUHAXUDTXAGDSL-LEWJYISDSA-N. The full InChI is InChI=1S/C23H19NO4/c25-22-20(18-12-6-2-7-13-18)24(21(28-22)19-14-8-3-9-15-19)23(26)27-16-17-10-4-1-5-11-17/h1-15,20-21H,16H2/t20-,21+/m0/s1.
What are the key properties of benzyl (2R,4S)-5-oxo-2,4-diphenyl-1,3-oxazolidine-3-carboxylate?
benzyl (2R,4S)-5-oxo-2,4-diphenyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 373.41 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R,4S)-5-oxo-2,4-diphenyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 10861658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).