(4S)-4-benzyl-3-tert-butylsulfanyl-1,3-oxazolidin-2-one

C14H19NO2S — CID 15668312

IUPAC(4S)-4-benzyl-3-tert-butylsulfanyl-1,3-oxazolidin-2-one
SMILESCC(C)(C)SN1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C14H19NO2S/c1-14(2,3)18-15-12(10-17-13(15)16)9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3/t12-/m0/s1
InChIKeyWHSBIXNCIIUNKI-LBPRGKRZSA-N
MW265.38 g/mol
LogP3.50
Rot. Bonds3

About (4S)-4-benzyl-3-tert-butylsulfanyl-1,3-oxazolidin-2-one

(4S)-4-benzyl-3-tert-butylsulfanyl-1,3-oxazolidin-2-one (PubChem CID 15668312) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is (4S)-4-benzyl-3-tert-butylsulfanyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-benzyl-3-tert-butylsulfanyl-1,3-oxazolidin-2-one
PubChem CID15668312
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name(4S)-4-benzyl-3-tert-butylsulfanyl-1,3-oxazolidin-2-one
SMILESCC(C)(C)SN1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C14H19NO2S/c1-14(2,3)18-15-12(10-17-13(15)16)9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3/t12-/m0/s1
InChIKeyWHSBIXNCIIUNKI-LBPRGKRZSA-N
XLogP3.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4R)-4-benzyl-3-methyl-1,3-oxazolidin-2-one
CID 14836208
(4S)-3-acetyl-4-benzyl-1,3-oxazolidin-2-one
CID 735929
(4S)-4-benzyl-3-propyl-1,3-oxazolidin-2-one
CID 155294169
4-benzyl-3-(3-hydroxy-3-phenylbutanoyl)-1,3-oxazolidin-2-one
CID 118938439
(4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbaldehyde
CID 10774601
(4R)-4-benzyl-3-[(E)-1-hydroxyprop-1-enyl]-1,3-oxazolidin-2-one
CID 100990536
4-benzyl-3-(1-phenylethyl)-1,3-oxazolidin-2-one
CID 68997353
(4R)-4-benzyl-3-[(1R)-1-sulfanylethyl]-1,3-oxazolidin-2-one
CID 139924961
(4R)-4-benzyl-3-(1-sulfanylethyl)-1,3-oxazolidin-2-one
CID 170024134
(4S)-4-benzyl-3-[(1S)-1-sulfanylethyl]-1,3-oxazolidin-2-one
CID 139924962
(4R)-4-benzyl-3-[(2S)-2,3,3-trimethylbutanoyl]-1,3-oxazolidin-2-one
CID 118941522
(4S)-4-benzyl-3-[2-(3,3-dimethylcyclobutyl)acetyl]-1,3-oxazolidin-2-one
CID 156622324

Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-3-tert-butylsulfanyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-benzyl-3-tert-butylsulfanyl-1,3-oxazolidin-2-one (CID 15668312) is (4S)-4-benzyl-3-tert-butylsulfanyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-benzyl-3-tert-butylsulfanyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-benzyl-3-tert-butylsulfanyl-1,3-oxazolidin-2-one is CC(C)(C)SN1C(=O)OC[C@@H]1Cc1ccccc1.
What is the InChIKey of (4S)-4-benzyl-3-tert-butylsulfanyl-1,3-oxazolidin-2-one?
The InChIKey is WHSBIXNCIIUNKI-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-14(2,3)18-15-12(10-17-13(15)16)9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3/t12-/m0/s1.
What are the key properties of (4S)-4-benzyl-3-tert-butylsulfanyl-1,3-oxazolidin-2-one?
(4S)-4-benzyl-3-tert-butylsulfanyl-1,3-oxazolidin-2-one has a molecular weight of 265.38 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-3-tert-butylsulfanyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 15668312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).