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

C13H17NO2S — CID 171184181

IUPAC(4S)-4-(2-tert-butylsulfanylphenyl)-1,3-oxazolidin-2-one
SMILESCC(C)(C)Sc1ccccc1[C@H]1COC(=O)N1
InChIInChI=1S/C13H17NO2S/c1-13(2,3)17-11-7-5-4-6-9(11)10-8-16-12(15)14-10/h4-7,10H,8H2,1-3H3,(H,14,15)/t10-/m1/s1
InChIKeyYDRSCNQGYVYWQQ-SNVBAGLBSA-N
MW251.35 g/mol
LogP3.36
Rot. Bonds2

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

(4S)-4-(2-tert-butylsulfanylphenyl)-1,3-oxazolidin-2-one (PubChem CID 171184181) has the molecular formula C13H17NO2S and a molecular weight of 251.35 g/mol. Its IUPAC name is (4S)-4-(2-tert-butylsulfanylphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(2-tert-butylsulfanylphenyl)-1,3-oxazolidin-2-one
PubChem CID171184181
Molecular FormulaC13H17NO2S
Molecular Weight251.35 g/mol
Exact Mass251.10
IUPAC Name(4S)-4-(2-tert-butylsulfanylphenyl)-1,3-oxazolidin-2-one
SMILESCC(C)(C)Sc1ccccc1[C@H]1COC(=O)N1
InChIInChI=1S/C13H17NO2S/c1-13(2,3)17-11-7-5-4-6-9(11)10-8-16-12(15)14-10/h4-7,10H,8H2,1-3H3,(H,14,15)/t10-/m1/s1
InChIKeyYDRSCNQGYVYWQQ-SNVBAGLBSA-N
XLogP3.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-(2-tert-butylsulfanylphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185965
(4S)-4-[2-(trifluoromethylsulfanyl)phenyl]-1,3-oxazolidin-2-one
CID 171184072
(4R)-4-(2-tert-butylsulfanylphenyl)-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride
CID 171187362
(2R)-2-(2-tert-butylsulfanylphenyl)azetidine;hydrochloride
CID 171197504
4-(2-iodophenyl)-1,3-oxazolidin-2-one
CID 130156491
(3R)-3-(2-tert-butylsulfanylphenyl)morpholine
CID 171192913
(4S)-4-(2-nitrophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171183708
(4R)-4-(2,3-dimethylphenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184393
(4R)-4-[3-fluoro-2-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 171184655
(2R)-2-(2-tert-butylsulfanylphenyl)piperazine;hydrochloride
CID 171194701
(4R)-4-phenyl-1,3-oxazolidin-2-one;hydrochloride
CID 171184730
ethane;ethene;4-phenyl-1,3-oxazolidin-2-one
CID 144602725

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(2-tert-butylsulfanylphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-(2-tert-butylsulfanylphenyl)-1,3-oxazolidin-2-one (CID 171184181) is (4S)-4-(2-tert-butylsulfanylphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-(2-tert-butylsulfanylphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-(2-tert-butylsulfanylphenyl)-1,3-oxazolidin-2-one is CC(C)(C)Sc1ccccc1[C@H]1COC(=O)N1.
What is the InChIKey of (4S)-4-(2-tert-butylsulfanylphenyl)-1,3-oxazolidin-2-one?
The InChIKey is YDRSCNQGYVYWQQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H17NO2S/c1-13(2,3)17-11-7-5-4-6-9(11)10-8-16-12(15)14-10/h4-7,10H,8H2,1-3H3,(H,14,15)/t10-/m1/s1.
What are the key properties of (4S)-4-(2-tert-butylsulfanylphenyl)-1,3-oxazolidin-2-one?
(4S)-4-(2-tert-butylsulfanylphenyl)-1,3-oxazolidin-2-one has a molecular weight of 251.35 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(2-tert-butylsulfanylphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 171184181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).