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

C11H13NO2 — CID 2733820

IUPAC(4S)-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
SMILESCC1(C)OC(=O)N[C@H]1c1ccccc1
InChIInChI=1S/C11H13NO2/c1-11(2)9(12-10(13)14-11)8-6-4-3-5-7-8/h3-7,9H,1-2H3,(H,12,13)/t9-/m0/s1
InChIKeyHSQRCAULDOQKPF-VIFPVBQESA-N
MW191.23 g/mol
LogP2.25
Rot. Bonds1

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

(4S)-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 2733820) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is (4S)-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
PubChem CID2733820
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name(4S)-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
SMILESCC1(C)OC(=O)N[C@H]1c1ccccc1
InChIInChI=1S/C11H13NO2/c1-11(2)9(12-10(13)14-11)8-6-4-3-5-7-8/h3-7,9H,1-2H3,(H,12,13)/t9-/m0/s1
InChIKeyHSQRCAULDOQKPF-VIFPVBQESA-N
XLogP2.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one (CID 2733820) is (4S)-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one is CC1(C)OC(=O)N[C@H]1c1ccccc1.
What is the InChIKey of (4S)-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is HSQRCAULDOQKPF-VIFPVBQESA-N. The full InChI is InChI=1S/C11H13NO2/c1-11(2)9(12-10(13)14-11)8-6-4-3-5-7-8/h3-7,9H,1-2H3,(H,12,13)/t9-/m0/s1.
What are the key properties of (4S)-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one?
(4S)-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 191.23 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 2733820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).