(4R,5S)-3-(benzenesulfinyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one

C16H15NO3S — CID 101004709

IUPAC(4R,5S)-3-(benzenesulfinyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one
SMILESC[C@@H]1[C@H](c2ccccc2)OC(=O)N1S(=O)c1ccccc1
InChIInChI=1S/C16H15NO3S/c1-12-15(13-8-4-2-5-9-13)20-16(18)17(12)21(19)14-10-6-3-7-11-14/h2-12,15H,1H3/t12-,15-,21?/m1/s1
InChIKeyNKAKMMJLTLMBBF-MKJFKYKGSA-N
MW301.37 g/mol
LogP3.29
Rot. Bonds3

About (4R,5S)-3-(benzenesulfinyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one

(4R,5S)-3-(benzenesulfinyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one (PubChem CID 101004709) has the molecular formula C16H15NO3S and a molecular weight of 301.37 g/mol. Its IUPAC name is (4R,5S)-3-(benzenesulfinyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-3-(benzenesulfinyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one
PubChem CID101004709
Molecular FormulaC16H15NO3S
Molecular Weight301.37 g/mol
Exact Mass301.08
IUPAC Name(4R,5S)-3-(benzenesulfinyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one
SMILESC[C@@H]1[C@H](c2ccccc2)OC(=O)N1S(=O)c1ccccc1
InChIInChI=1S/C16H15NO3S/c1-12-15(13-8-4-2-5-9-13)20-16(18)17(12)21(19)14-10-6-3-7-11-14/h2-12,15H,1H3/t12-,15-,21?/m1/s1
InChIKeyNKAKMMJLTLMBBF-MKJFKYKGSA-N
XLogP3.29
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-3-(benzenesulfinyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5S)-3-(benzenesulfinyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one (CID 101004709) is (4R,5S)-3-(benzenesulfinyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5S)-3-(benzenesulfinyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5S)-3-(benzenesulfinyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one is C[C@@H]1[C@H](c2ccccc2)OC(=O)N1S(=O)c1ccccc1.
What is the InChIKey of (4R,5S)-3-(benzenesulfinyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
The InChIKey is NKAKMMJLTLMBBF-MKJFKYKGSA-N. The full InChI is InChI=1S/C16H15NO3S/c1-12-15(13-8-4-2-5-9-13)20-16(18)17(12)21(19)14-10-6-3-7-11-14/h2-12,15H,1H3/t12-,15-,21?/m1/s1.
What are the key properties of (4R,5S)-3-(benzenesulfinyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
(4R,5S)-3-(benzenesulfinyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one has a molecular weight of 301.37 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-3-(benzenesulfinyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 101004709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).