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

C11H13NO2 — CID 58484806

IUPAC(4R,5S)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-one
SMILESC[C@@H]1[C@H](c2ccccc2)OC(=O)N1C
InChIInChI=1S/C11H13NO2/c1-8-10(14-11(13)12(8)2)9-6-4-3-5-7-9/h3-8,10H,1-2H3/t8-,10-/m1/s1
InChIKeyMNYARIILPGRTQL-PSASIEDQSA-N
MW191.23 g/mol
LogP2.20
Rot. Bonds1

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

(4R,5S)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-one (PubChem CID 58484806) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is (4R,5S)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-one
PubChem CID58484806
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name(4R,5S)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-one
SMILESC[C@@H]1[C@H](c2ccccc2)OC(=O)N1C
InChIInChI=1S/C11H13NO2/c1-8-10(14-11(13)12(8)2)9-6-4-3-5-7-9/h3-8,10H,1-2H3/t8-,10-/m1/s1
InChIKeyMNYARIILPGRTQL-PSASIEDQSA-N
XLogP2.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5S)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-one (CID 58484806) is (4R,5S)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5S)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5S)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-one is C[C@@H]1[C@H](c2ccccc2)OC(=O)N1C.
What is the InChIKey of (4R,5S)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-one?
The InChIKey is MNYARIILPGRTQL-PSASIEDQSA-N. The full InChI is InChI=1S/C11H13NO2/c1-8-10(14-11(13)12(8)2)9-6-4-3-5-7-9/h3-8,10H,1-2H3/t8-,10-/m1/s1.
What are the key properties of (4R,5S)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-one?
(4R,5S)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-one has a molecular weight of 191.23 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 58484806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).