tert-butyl 2-[(2S,4R)-3-benzoyl-4-methyl-5-oxo-2-phenyl-1,3-oxazolidin-4-yl]acetate

C23H25NO5 — CID 134870526

IUPACtert-butyl 2-[(2S,4R)-3-benzoyl-4-methyl-5-oxo-2-phenyl-1,3-oxazolidin-4-yl]acetate
SMILESCC(C)(C)OC(=O)C[C@]1(C)C(=O)O[C@@H](c2ccccc2)N1C(=O)c1ccccc1
InChIInChI=1S/C23H25NO5/c1-22(2,3)29-18(25)15-23(4)21(27)28-20(17-13-9-6-10-14-17)24(23)19(26)16-11-7-5-8-12-16/h5-14,20H,15H2,1-4H3/t20-,23+/m0/s1
InChIKeyOOMNDNWPIMMNNS-NZQKXSOJSA-N
MW395.46 g/mol
LogP3.87
Rot. Bonds4

About tert-butyl 2-[(2S,4R)-3-benzoyl-4-methyl-5-oxo-2-phenyl-1,3-oxazolidin-4-yl]acetate

tert-butyl 2-[(2S,4R)-3-benzoyl-4-methyl-5-oxo-2-phenyl-1,3-oxazolidin-4-yl]acetate (PubChem CID 134870526) has the molecular formula C23H25NO5 and a molecular weight of 395.46 g/mol. Its IUPAC name is tert-butyl 2-[(2S,4R)-3-benzoyl-4-methyl-5-oxo-2-phenyl-1,3-oxazolidin-4-yl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(2S,4R)-3-benzoyl-4-methyl-5-oxo-2-phenyl-1,3-oxazolidin-4-yl]acetate
PubChem CID134870526
Molecular FormulaC23H25NO5
Molecular Weight395.46 g/mol
Exact Mass395.17
IUPAC Nametert-butyl 2-[(2S,4R)-3-benzoyl-4-methyl-5-oxo-2-phenyl-1,3-oxazolidin-4-yl]acetate
SMILESCC(C)(C)OC(=O)C[C@]1(C)C(=O)O[C@@H](c2ccccc2)N1C(=O)c1ccccc1
InChIInChI=1S/C23H25NO5/c1-22(2,3)29-18(25)15-23(4)21(27)28-20(17-13-9-6-10-14-17)24(23)19(26)16-11-7-5-8-12-16/h5-14,20H,15H2,1-4H3/t20-,23+/m0/s1
InChIKeyOOMNDNWPIMMNNS-NZQKXSOJSA-N
XLogP3.87
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 2-[(2S,4R)-3-benzoyl-4-methyl-5-oxo-2-phenyl-1,3-oxazolidin-4-yl]acetate with MolForge

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Launch Full Analysis

Related Compounds

benzyl (2S,4R)-4-methyl-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate
CID 15719211
2-[(3-benzoyl-4-methyl-5-oxo-2-phenyl-1,3-oxazolidin-4-yl)methyl]isoindole-1,3-dione
CID 58506468
(2R)-4-(iodomethyl)-4-methyl-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylic acid
CID 175451639
2-[(2R,4R)-3-benzoyl-2-tert-butyl-1,4-dimethyl-5-oxoimidazolidin-4-yl]acetic acid
CID 134916919
benzyl (2S,4R)-4-benzyl-4-methyl-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate
CID 140762763
benzyl (2S,4S)-4-(iodomethyl)-4-methyl-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate
CID 156678944
tert-butyl 3-[(2R,4S)-3-benzoyl-2-methyl-2-phenyl-1,3-oxazolidin-4-yl]propanoate
CID 23246065
benzyl (2S,4R)-4-methyl-5-oxo-2-phenyl-4-prop-2-enyl-1,3-oxazolidine-3-carboxylate
CID 23626667
[1-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutylidene]chromium
CID 135076519
tert-butyl 4-oxo-4-phenylbutanoate
CID 11746573
trans-ditert-butyl (2S,6S)-4-oxo-2,6-diphenylcyclohexane-1,1-dicarboxylate
CID 102122342
tert-butyl 2-[(5-benzoyl-6-oxo-5-azaspiro[2.3]hexane-4-carbonyl)amino]acetate
CID 11210545

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(2S,4R)-3-benzoyl-4-methyl-5-oxo-2-phenyl-1,3-oxazolidin-4-yl]acetate?
The IUPAC name of tert-butyl 2-[(2S,4R)-3-benzoyl-4-methyl-5-oxo-2-phenyl-1,3-oxazolidin-4-yl]acetate (CID 134870526) is tert-butyl 2-[(2S,4R)-3-benzoyl-4-methyl-5-oxo-2-phenyl-1,3-oxazolidin-4-yl]acetate.
What is the SMILES notation for tert-butyl 2-[(2S,4R)-3-benzoyl-4-methyl-5-oxo-2-phenyl-1,3-oxazolidin-4-yl]acetate?
The canonical SMILES for tert-butyl 2-[(2S,4R)-3-benzoyl-4-methyl-5-oxo-2-phenyl-1,3-oxazolidin-4-yl]acetate is CC(C)(C)OC(=O)C[C@]1(C)C(=O)O[C@@H](c2ccccc2)N1C(=O)c1ccccc1.
What is the InChIKey of tert-butyl 2-[(2S,4R)-3-benzoyl-4-methyl-5-oxo-2-phenyl-1,3-oxazolidin-4-yl]acetate?
The InChIKey is OOMNDNWPIMMNNS-NZQKXSOJSA-N. The full InChI is InChI=1S/C23H25NO5/c1-22(2,3)29-18(25)15-23(4)21(27)28-20(17-13-9-6-10-14-17)24(23)19(26)16-11-7-5-8-12-16/h5-14,20H,15H2,1-4H3/t20-,23+/m0/s1.
What are the key properties of tert-butyl 2-[(2S,4R)-3-benzoyl-4-methyl-5-oxo-2-phenyl-1,3-oxazolidin-4-yl]acetate?
tert-butyl 2-[(2S,4R)-3-benzoyl-4-methyl-5-oxo-2-phenyl-1,3-oxazolidin-4-yl]acetate has a molecular weight of 395.46 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(2S,4R)-3-benzoyl-4-methyl-5-oxo-2-phenyl-1,3-oxazolidin-4-yl]acetate is sourced from PubChem (CID 134870526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).