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

C25H23NO4 — CID 134870664

IUPACbenzyl (2R,4S)-4-benzyl-4-methyl-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate
SMILESC[C@]1(Cc2ccccc2)C(=O)O[C@H](c2ccccc2)N1C(=O)OCc1ccccc1
InChIInChI=1S/C25H23NO4/c1-25(17-19-11-5-2-6-12-19)23(27)30-22(21-15-9-4-10-16-21)26(25)24(28)29-18-20-13-7-3-8-14-20/h2-16,22H,17-18H2,1H3/t22-,25+/m1/s1
InChIKeyDQDLQAILSTWHFB-RDGATRHJSA-N
MW401.46 g/mol
LogP4.88
Rot. Bonds5

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

benzyl (2R,4S)-4-benzyl-4-methyl-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate (PubChem CID 134870664) has the molecular formula C25H23NO4 and a molecular weight of 401.46 g/mol. Its IUPAC name is benzyl (2R,4S)-4-benzyl-4-methyl-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Namebenzyl (2R,4S)-4-benzyl-4-methyl-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate
PubChem CID134870664
Molecular FormulaC25H23NO4
Molecular Weight401.46 g/mol
Exact Mass401.16
IUPAC Namebenzyl (2R,4S)-4-benzyl-4-methyl-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate
SMILESC[C@]1(Cc2ccccc2)C(=O)O[C@H](c2ccccc2)N1C(=O)OCc1ccccc1
InChIInChI=1S/C25H23NO4/c1-25(17-19-11-5-2-6-12-19)23(27)30-22(21-15-9-4-10-16-21)26(25)24(28)29-18-20-13-7-3-8-14-20/h2-16,22H,17-18H2,1H3/t22-,25+/m1/s1
InChIKeyDQDLQAILSTWHFB-RDGATRHJSA-N
XLogP4.88
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzyl (2R,4S)-4-benzyl-4-methyl-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of benzyl (2R,4S)-4-benzyl-4-methyl-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate (CID 134870664) is benzyl (2R,4S)-4-benzyl-4-methyl-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for benzyl (2R,4S)-4-benzyl-4-methyl-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for benzyl (2R,4S)-4-benzyl-4-methyl-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate is C[C@]1(Cc2ccccc2)C(=O)O[C@H](c2ccccc2)N1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2R,4S)-4-benzyl-4-methyl-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is DQDLQAILSTWHFB-RDGATRHJSA-N. The full InChI is InChI=1S/C25H23NO4/c1-25(17-19-11-5-2-6-12-19)23(27)30-22(21-15-9-4-10-16-21)26(25)24(28)29-18-20-13-7-3-8-14-20/h2-16,22H,17-18H2,1H3/t22-,25+/m1/s1.
What are the key properties of benzyl (2R,4S)-4-benzyl-4-methyl-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate?
benzyl (2R,4S)-4-benzyl-4-methyl-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 401.46 g/mol, XLogP of 4.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R,4S)-4-benzyl-4-methyl-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 134870664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).