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

C10H11NO3 — CID 130977904

IUPAC(3S,4S)-4-hydroxy-2-methyl-3-phenyl-1,2-oxazolidin-5-one
SMILESCN1OC(=O)[C@@H](O)[C@@H]1c1ccccc1
InChIInChI=1S/C10H11NO3/c1-11-8(9(12)10(13)14-11)7-5-3-2-4-6-7/h2-6,8-9,12H,1H3/t8-,9-/m0/s1
InChIKeyYVIKUJICNWBESG-IUCAKERBSA-N
MW193.20 g/mol
LogP0.49
Rot. Bonds1

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

(3S,4S)-4-hydroxy-2-methyl-3-phenyl-1,2-oxazolidin-5-one (PubChem CID 130977904) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is (3S,4S)-4-hydroxy-2-methyl-3-phenyl-1,2-oxazolidin-5-one.

Molecular Properties

Compound Name(3S,4S)-4-hydroxy-2-methyl-3-phenyl-1,2-oxazolidin-5-one
PubChem CID130977904
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name(3S,4S)-4-hydroxy-2-methyl-3-phenyl-1,2-oxazolidin-5-one
SMILESCN1OC(=O)[C@@H](O)[C@@H]1c1ccccc1
InChIInChI=1S/C10H11NO3/c1-11-8(9(12)10(13)14-11)7-5-3-2-4-6-7/h2-6,8-9,12H,1H3/t8-,9-/m0/s1
InChIKeyYVIKUJICNWBESG-IUCAKERBSA-N
XLogP0.49
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4S,5S)-4-hydroxy-2-methyl-5-phenyl-1,2-oxazolidin-3-one
CID 131102376
(2S,3R,4R)-4-hydroxy-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
CID 122155387
(5R,6S)-4-methyl-5,6-diphenylmorpholin-2-one
CID 54194620
(3R,5R,6S)-3,4-dimethyl-5,6-diphenylmorpholin-2-one
CID 167005616
(3R,4S)-3-hydroxy-1,4-diphenylazetidin-2-one
CID 11424956
(3R,4S)-1-methyl-3,4-diphenylazetidin-2-one
CID 122372873
3-hydroxy-5,5-dimethyl-4-phenyloxolan-2-one
CID 18436228
(1R,2R,4S,5S,6S,8R)-3-methyl-2,4,6,8-tetraphenyl-3-azabicyclo[3.3.1]nonan-9-one
CID 98127168
(3R,4R)-3-fluoro-1-methyl-4-phenylazetidin-2-one
CID 14984605
(2R,3S)-N,N-dimethyl-2,3-diphenylaziridine-1-carboxamide
CID 10015778
(4R,5R)-2,3-dimethyl-4-phenyl-1,3-oxazinan-5-ol
CID 11241219
(4S,5S)-1-methyl-4,5-diphenylimidazolidin-2-one
CID 11831915

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-hydroxy-2-methyl-3-phenyl-1,2-oxazolidin-5-one?
The IUPAC name of (3S,4S)-4-hydroxy-2-methyl-3-phenyl-1,2-oxazolidin-5-one (CID 130977904) is (3S,4S)-4-hydroxy-2-methyl-3-phenyl-1,2-oxazolidin-5-one.
What is the SMILES notation for (3S,4S)-4-hydroxy-2-methyl-3-phenyl-1,2-oxazolidin-5-one?
The canonical SMILES for (3S,4S)-4-hydroxy-2-methyl-3-phenyl-1,2-oxazolidin-5-one is CN1OC(=O)[C@@H](O)[C@@H]1c1ccccc1.
What is the InChIKey of (3S,4S)-4-hydroxy-2-methyl-3-phenyl-1,2-oxazolidin-5-one?
The InChIKey is YVIKUJICNWBESG-IUCAKERBSA-N. The full InChI is InChI=1S/C10H11NO3/c1-11-8(9(12)10(13)14-11)7-5-3-2-4-6-7/h2-6,8-9,12H,1H3/t8-,9-/m0/s1.
What are the key properties of (3S,4S)-4-hydroxy-2-methyl-3-phenyl-1,2-oxazolidin-5-one?
(3S,4S)-4-hydroxy-2-methyl-3-phenyl-1,2-oxazolidin-5-one has a molecular weight of 193.20 g/mol, XLogP of 0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-hydroxy-2-methyl-3-phenyl-1,2-oxazolidin-5-one is sourced from PubChem (CID 130977904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).