(4S)-4-benzyl-3-tert-butyl-5,5-dimethyl-1,3-oxazolidin-2-one

C16H23NO2 — CID 176760746

IUPAC(4S)-4-benzyl-3-tert-butyl-5,5-dimethyl-1,3-oxazolidin-2-one
SMILESCC1(C)OC(=O)N(C(C)(C)C)[C@H]1Cc1ccccc1
InChIInChI=1S/C16H23NO2/c1-15(2,3)17-13(16(4,5)19-14(17)18)11-12-9-7-6-8-10-12/h6-10,13H,11H2,1-5H3/t13-/m0/s1
InChIKeyRAVISRAJCLHFKR-ZDUSSCGKSA-N
MW261.37 g/mol
LogP3.63
Rot. Bonds2

About (4S)-4-benzyl-3-tert-butyl-5,5-dimethyl-1,3-oxazolidin-2-one

(4S)-4-benzyl-3-tert-butyl-5,5-dimethyl-1,3-oxazolidin-2-one (PubChem CID 176760746) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is (4S)-4-benzyl-3-tert-butyl-5,5-dimethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-benzyl-3-tert-butyl-5,5-dimethyl-1,3-oxazolidin-2-one
PubChem CID176760746
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name(4S)-4-benzyl-3-tert-butyl-5,5-dimethyl-1,3-oxazolidin-2-one
SMILESCC1(C)OC(=O)N(C(C)(C)C)[C@H]1Cc1ccccc1
InChIInChI=1S/C16H23NO2/c1-15(2,3)17-13(16(4,5)19-14(17)18)11-12-9-7-6-8-10-12/h6-10,13H,11H2,1-5H3/t13-/m0/s1
InChIKeyRAVISRAJCLHFKR-ZDUSSCGKSA-N
XLogP3.63
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-4-benzyl-3-(2-chloroacetyl)-5,5-dimethyl-1,3-oxazolidin-2-one
CID 11594357
(4S)-4-benzyl-5,5-dimethyl-3-[(2S)-2-methyl-3-phenylpropanoyl]-1,3-oxazolidin-2-one
CID 10937055
2-benzyl-1,3-ditert-butylimidazolidine-4,5-dione
CID 139184480
(4S)-4-benzyl-3-[(E,2R)-2-tert-butyl-4-phenylbut-3-enoyl]-5,5-dimethyl-1,3-oxazolidin-2-one
CID 154719500
(4S)-4-benzyl-3-[(2S)-2-hydroxy-4-phenoxybutanoyl]-5,5-dimethyl-1,3-oxazolidin-2-one
CID 102222881
4-benzyl-5,5-dimethyl-3-(3-thiophen-2-ylprop-2-enoyl)-1,3-oxazolidin-2-one
CID 175084249
(4S)-4-benzyl-3-tert-butyl-1,3-oxazolidin-2-one;(4S)-3-tert-butyl-5-methyl-5-phenyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4S)-3-tert-butyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 159994208
(4S)-4-benzyl-3-(3-ethyl-4,5-dihydro-1,2-oxazole-5-carbonyl)-5,5-dimethyl-1,3-oxazolidin-2-one
CID 10019529
(4S)-4-benzyl-5,5-dimethyl-3-[(4R)-5-methyl-3-phenyl-4,5-dihydro-1,2-oxazole-4-carbonyl]-1,3-oxazolidin-2-one
CID 101271722
(4S)-4-benzyl-5,5-dimethyl-3-[(4S,5S)-5-methyl-3-phenyl-4,5-dihydro-1,2-oxazole-4-carbonyl]-1,3-oxazolidin-2-one
CID 101225192
(4S)-4-benzyl-5,5-dimethyl-3-[(5S)-3-[3-[(2-methylpropan-2-yl)oxy]phenyl]-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one
CID 139911629
(4S)-4-benzyl-3-tert-butylsulfanyl-1,3-oxazolidin-2-one
CID 15668312

Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-3-tert-butyl-5,5-dimethyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-benzyl-3-tert-butyl-5,5-dimethyl-1,3-oxazolidin-2-one (CID 176760746) is (4S)-4-benzyl-3-tert-butyl-5,5-dimethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-benzyl-3-tert-butyl-5,5-dimethyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-benzyl-3-tert-butyl-5,5-dimethyl-1,3-oxazolidin-2-one is CC1(C)OC(=O)N(C(C)(C)C)[C@H]1Cc1ccccc1.
What is the InChIKey of (4S)-4-benzyl-3-tert-butyl-5,5-dimethyl-1,3-oxazolidin-2-one?
The InChIKey is RAVISRAJCLHFKR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H23NO2/c1-15(2,3)17-13(16(4,5)19-14(17)18)11-12-9-7-6-8-10-12/h6-10,13H,11H2,1-5H3/t13-/m0/s1.
What are the key properties of (4S)-4-benzyl-3-tert-butyl-5,5-dimethyl-1,3-oxazolidin-2-one?
(4S)-4-benzyl-3-tert-butyl-5,5-dimethyl-1,3-oxazolidin-2-one has a molecular weight of 261.37 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-3-tert-butyl-5,5-dimethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 176760746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).