tert-butyl 4-[[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]methyl]benzoate

C21H23NO4 — CID 68742224

IUPACtert-butyl 4-[[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]methyl]benzoate
SMILESCC(C)(C)OC(=O)c1ccc(CN2C(=O)OC[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C21H23NO4/c1-21(2,3)26-19(23)17-11-9-15(10-12-17)13-22-18(14-25-20(22)24)16-7-5-4-6-8-16/h4-12,18H,13-14H2,1-3H3/t18-/m1/s1
InChIKeyOLQPRTUJPDMZNO-GOSISDBHSA-N
MW353.42 g/mol
LogP4.34
Rot. Bonds4

About tert-butyl 4-[[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]methyl]benzoate

tert-butyl 4-[[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]methyl]benzoate (PubChem CID 68742224) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is tert-butyl 4-[[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]methyl]benzoate.

Molecular Properties

Compound Nametert-butyl 4-[[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]methyl]benzoate
PubChem CID68742224
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Nametert-butyl 4-[[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]methyl]benzoate
SMILESCC(C)(C)OC(=O)c1ccc(CN2C(=O)OC[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C21H23NO4/c1-21(2,3)26-19(23)17-11-9-15(10-12-17)13-22-18(14-25-20(22)24)16-7-5-4-6-8-16/h4-12,18H,13-14H2,1-3H3/t18-/m1/s1
InChIKeyOLQPRTUJPDMZNO-GOSISDBHSA-N
XLogP4.34
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

(4R)-3-[[2-[[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]methyl]-4-phenyl-1,3-oxazolidin-2-one
CID 138601240
tert-butyl 4-[(3-benzyl-1-methyl-2-oxoimidazolidin-4-yl)methyl]benzoate
CID 102384780
4-phenyl-3-prop-2-ynyl-1,3-oxazolidin-2-one
CID 73115367
(4S)-3-butyl-4-phenyl-1,3-oxazolidin-2-one
CID 134941159
(4R)-3-(3,3-dimethylbutanoyl)-4-phenyl-1,3-oxazolidin-2-one
CID 118888246
tert-butyl (4R,7S)-1,6-dioxo-4-phenyl-4,7,8,9-tetrahydro-3H-pyridazino[1,2-c][1,3,4]oxadiazine-7-carboxylate
CID 102533701
tert-butyl 4-[[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]methyl]benzoate
CID 70169590
tert-butyl 4,5-dimethyl-3-(2-oxo-4-phenyl-1,3-oxazolidine-3-carbonyl)hexanoate
CID 21358821
CID 162139404
CID 162139404
tert-butyl 4-[(1-oxo-3-sulfanylideneisoindol-2-yl)methyl]benzoate
CID 149458366
(4S)-3-[(3-methyl-1,2-oxazol-4-yl)methyl]-4-phenyl-1,3-oxazolidin-2-one
CID 141303370
tert-butyl 4-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]benzoate
CID 118707404

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]methyl]benzoate?
The IUPAC name of tert-butyl 4-[[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]methyl]benzoate (CID 68742224) is tert-butyl 4-[[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]methyl]benzoate.
What is the SMILES notation for tert-butyl 4-[[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]methyl]benzoate?
The canonical SMILES for tert-butyl 4-[[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]methyl]benzoate is CC(C)(C)OC(=O)c1ccc(CN2C(=O)OC[C@@H]2c2ccccc2)cc1.
What is the InChIKey of tert-butyl 4-[[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]methyl]benzoate?
The InChIKey is OLQPRTUJPDMZNO-GOSISDBHSA-N. The full InChI is InChI=1S/C21H23NO4/c1-21(2,3)26-19(23)17-11-9-15(10-12-17)13-22-18(14-25-20(22)24)16-7-5-4-6-8-16/h4-12,18H,13-14H2,1-3H3/t18-/m1/s1.
What are the key properties of tert-butyl 4-[[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]methyl]benzoate?
tert-butyl 4-[[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]methyl]benzoate has a molecular weight of 353.42 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]methyl]benzoate is sourced from PubChem (CID 68742224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).