(4S)-4-tert-butyl-3-[(Z)-2,3-diphenylbut-1-enyl]-1,3-oxazolidin-2-one

C23H27NO2 — CID 101342379

IUPAC(4S)-4-tert-butyl-3-[(Z)-2,3-diphenylbut-1-enyl]-1,3-oxazolidin-2-one
SMILESCC(/C(=C/N1C(=O)OC[C@@H]1C(C)(C)C)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H27NO2/c1-17(18-11-7-5-8-12-18)20(19-13-9-6-10-14-19)15-24-21(23(2,3)4)16-26-22(24)25/h5-15,17,21H,16H2,1-4H3/b20-15-/t17?,21-/m1/s1
InChIKeyMNJJDRDVOJTKOJ-AUYALGGWSA-N
MW349.47 g/mol
LogP5.70
Rot. Bonds4

About (4S)-4-tert-butyl-3-[(Z)-2,3-diphenylbut-1-enyl]-1,3-oxazolidin-2-one

(4S)-4-tert-butyl-3-[(Z)-2,3-diphenylbut-1-enyl]-1,3-oxazolidin-2-one (PubChem CID 101342379) has the molecular formula C23H27NO2 and a molecular weight of 349.47 g/mol. Its IUPAC name is (4S)-4-tert-butyl-3-[(Z)-2,3-diphenylbut-1-enyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-tert-butyl-3-[(Z)-2,3-diphenylbut-1-enyl]-1,3-oxazolidin-2-one
PubChem CID101342379
Molecular FormulaC23H27NO2
Molecular Weight349.47 g/mol
Exact Mass349.20
IUPAC Name(4S)-4-tert-butyl-3-[(Z)-2,3-diphenylbut-1-enyl]-1,3-oxazolidin-2-one
SMILESCC(/C(=C/N1C(=O)OC[C@@H]1C(C)(C)C)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H27NO2/c1-17(18-11-7-5-8-12-18)20(19-13-9-6-10-14-19)15-24-21(23(2,3)4)16-26-22(24)25/h5-15,17,21H,16H2,1-4H3/b20-15-/t17?,21-/m1/s1
InChIKeyMNJJDRDVOJTKOJ-AUYALGGWSA-N
XLogP5.70
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.47
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4S)-4-tert-butyl-3-[(Z)-2,3-diphenylbut-1-enyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(4R)-3-[(E,3R)-2,3-diphenylbut-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11772016
(4S)-3-benzoyl-4-tert-butyl-1,3-oxazolidin-2-one
CID 10988617
4-phenyl-3-(2-phenylpropanoyl)-1,3-oxazolidin-2-one
CID 59942448
(4S)-3-[(2R,3R)-2-benzyl-3-hydroxy-3-phenylpropanoyl]-4-tert-butyl-1,3-oxazolidin-2-one
CID 10809871
N-(4-tert-butyl-2-oxo-1,3-oxazolidin-3-yl)benzamide
CID 140849838
(4R)-3-[(E)-3-hydroxybut-1-enyl]-4-phenyl-1,3-oxazolidin-2-one
CID 10922425
(4S)-4-tert-butyl-3-[(E)-4-methylpent-2-enoyl]-1,3-oxazolidin-2-one
CID 11310985
(4S)-3-amino-4-tert-butyl-1,3-oxazolidin-2-one
CID 132500259
(4R)-4-phenyl-3-[(Z)-2-tri(propan-2-yl)silylethenyl]-1,3-oxazolidin-2-one
CID 11588253
1-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-2-phenylethane-1,2-dione
CID 11832186
(4S)-4-tert-butyl-3-[(3S)-3-methylpent-4-enoyl]-1,3-oxazolidin-2-one
CID 102237784
(4S)-3-[(2S,3R)-2-bromo-3-phenylbutanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 10023128

Frequently Asked Questions

What is the IUPAC name of (4S)-4-tert-butyl-3-[(Z)-2,3-diphenylbut-1-enyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-tert-butyl-3-[(Z)-2,3-diphenylbut-1-enyl]-1,3-oxazolidin-2-one (CID 101342379) is (4S)-4-tert-butyl-3-[(Z)-2,3-diphenylbut-1-enyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-tert-butyl-3-[(Z)-2,3-diphenylbut-1-enyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-tert-butyl-3-[(Z)-2,3-diphenylbut-1-enyl]-1,3-oxazolidin-2-one is CC(/C(=C/N1C(=O)OC[C@@H]1C(C)(C)C)c1ccccc1)c1ccccc1.
What is the InChIKey of (4S)-4-tert-butyl-3-[(Z)-2,3-diphenylbut-1-enyl]-1,3-oxazolidin-2-one?
The InChIKey is MNJJDRDVOJTKOJ-AUYALGGWSA-N. The full InChI is InChI=1S/C23H27NO2/c1-17(18-11-7-5-8-12-18)20(19-13-9-6-10-14-19)15-24-21(23(2,3)4)16-26-22(24)25/h5-15,17,21H,16H2,1-4H3/b20-15-/t17?,21-/m1/s1.
What are the key properties of (4S)-4-tert-butyl-3-[(Z)-2,3-diphenylbut-1-enyl]-1,3-oxazolidin-2-one?
(4S)-4-tert-butyl-3-[(Z)-2,3-diphenylbut-1-enyl]-1,3-oxazolidin-2-one has a molecular weight of 349.47 g/mol, XLogP of 5.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-tert-butyl-3-[(Z)-2,3-diphenylbut-1-enyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 101342379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).