(4S)-3-benzoyl-4-tert-butyl-1,3-oxazolidin-2-one

C14H17NO3 — CID 10988617

IUPAC(4S)-3-benzoyl-4-tert-butyl-1,3-oxazolidin-2-one
SMILESCC(C)(C)[C@H]1COC(=O)N1C(=O)c1ccccc1
InChIInChI=1S/C14H17NO3/c1-14(2,3)11-9-18-13(17)15(11)12(16)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3/t11-/m1/s1
InChIKeyKMMCOPLPYZODGU-LLVKDONJSA-N
MW247.29 g/mol
LogP2.69
Rot. Bonds1

About (4S)-3-benzoyl-4-tert-butyl-1,3-oxazolidin-2-one

(4S)-3-benzoyl-4-tert-butyl-1,3-oxazolidin-2-one (PubChem CID 10988617) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is (4S)-3-benzoyl-4-tert-butyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-benzoyl-4-tert-butyl-1,3-oxazolidin-2-one
PubChem CID10988617
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name(4S)-3-benzoyl-4-tert-butyl-1,3-oxazolidin-2-one
SMILESCC(C)(C)[C@H]1COC(=O)N1C(=O)c1ccccc1
InChIInChI=1S/C14H17NO3/c1-14(2,3)11-9-18-13(17)15(11)12(16)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3/t11-/m1/s1
InChIKeyKMMCOPLPYZODGU-LLVKDONJSA-N
XLogP2.69
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-tert-butyl-2-oxo-1,3-oxazolidin-3-yl)benzamide
CID 140849838
(4S)-3-[(2R,3R)-2-benzyl-3-hydroxy-3-phenylpropanoyl]-4-tert-butyl-1,3-oxazolidin-2-one
CID 10809871
(4S)-4-tert-butyl-3-[(Z)-2,3-diphenylbut-1-enyl]-1,3-oxazolidin-2-one
CID 101342379
(4-tert-butyl-2-sulfanylidene-1,3-thiazolidin-3-yl)-phenylmethanone
CID 10707814
4-tert-butyl-3-[(1S,2R,4R,6R)-2-hydroxy-4-methyl-6-phenylsulfanylcyclohexanecarbonyl]-1,3-oxazolidin-2-one
CID 134980485
(4S)-4-tert-butyl-3-[(1S,2R,4S,6R)-2-hydroxy-2,4-dimethyl-6-phenylcyclohexanecarbonyl]-1,3-oxazolidin-2-one
CID 101183128
1-benzoyl-2-tert-butylpiperidin-4-one
CID 131871850
(4S)-4-tert-butyl-3-[(E)-4-methylpent-2-enoyl]-1,3-oxazolidin-2-one
CID 11310985
2-[(4S)-4-tert-butyl-2-oxo-1,3-oxazolidin-3-yl]acetic acid
CID 10584218
1-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-2-phenylethane-1,2-dione
CID 11832186
(4R)-3-(3,3-dimethylbutanoyl)-4-phenyl-1,3-oxazolidin-2-one
CID 118888246
(4S)-4-tert-butyl-3-[(3S)-3-methylpent-4-enoyl]-1,3-oxazolidin-2-one
CID 102237784

Frequently Asked Questions

What is the IUPAC name of (4S)-3-benzoyl-4-tert-butyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-benzoyl-4-tert-butyl-1,3-oxazolidin-2-one (CID 10988617) is (4S)-3-benzoyl-4-tert-butyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-benzoyl-4-tert-butyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-benzoyl-4-tert-butyl-1,3-oxazolidin-2-one is CC(C)(C)[C@H]1COC(=O)N1C(=O)c1ccccc1.
What is the InChIKey of (4S)-3-benzoyl-4-tert-butyl-1,3-oxazolidin-2-one?
The InChIKey is KMMCOPLPYZODGU-LLVKDONJSA-N. The full InChI is InChI=1S/C14H17NO3/c1-14(2,3)11-9-18-13(17)15(11)12(16)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3/t11-/m1/s1.
What are the key properties of (4S)-3-benzoyl-4-tert-butyl-1,3-oxazolidin-2-one?
(4S)-3-benzoyl-4-tert-butyl-1,3-oxazolidin-2-one has a molecular weight of 247.29 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-benzoyl-4-tert-butyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 10988617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).