5-hydroxy-4,4-dimethyl-2-phenyl-1,2-oxazolidin-3-one

C11H13NO3 — CID 134102918

IUPAC5-hydroxy-4,4-dimethyl-2-phenyl-1,2-oxazolidin-3-one
SMILESCC1(C)C(=O)N(c2ccccc2)OC1O
InChIInChI=1S/C11H13NO3/c1-11(2)9(13)12(15-10(11)14)8-6-4-3-5-7-8/h3-7,10,14H,1-2H3
InChIKeyZBVKBXYXFNZMHQ-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.31
Rot. Bonds1

About 5-hydroxy-4,4-dimethyl-2-phenyl-1,2-oxazolidin-3-one

5-hydroxy-4,4-dimethyl-2-phenyl-1,2-oxazolidin-3-one (PubChem CID 134102918) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 5-hydroxy-4,4-dimethyl-2-phenyl-1,2-oxazolidin-3-one.

Molecular Properties

Compound Name5-hydroxy-4,4-dimethyl-2-phenyl-1,2-oxazolidin-3-one
PubChem CID134102918
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name5-hydroxy-4,4-dimethyl-2-phenyl-1,2-oxazolidin-3-one
SMILESCC1(C)C(=O)N(c2ccccc2)OC1O
InChIInChI=1S/C11H13NO3/c1-11(2)9(13)12(15-10(11)14)8-6-4-3-5-7-8/h3-7,10,14H,1-2H3
InChIKeyZBVKBXYXFNZMHQ-UHFFFAOYSA-N
XLogP1.31
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-5-hydroxy-4,4-dimethyl-1,2-oxazolidin-3-one
CID 134094277
4-fluoro-3,3-dimethyl-1-phenylazetidin-2-one
CID 67692307
6-(3-bromoanilino)-4,4-dimethyl-2-phenyloxazinan-3-one
CID 132549798
(4S)-4-(2-hydroxyphenyl)-3,3-dimethyl-1-phenylazetidin-2-one
CID 714178
4,4-diethyl-2-phenyl-1,2-oxazolidine-3,5-dione
CID 3029182
(2R,5R)-2-methyl-2,5-diphenyl-1,3-dioxolan-4-one
CID 102069658
(4S,5S)-4-hydroxy-2-methyl-5-phenyl-1,2-oxazolidin-3-one
CID 131102376
(3aR,4S,7S,7aS)-4,7-dimethyl-2-phenyl-3a,7a-dihydro-4,7-epoxyisoindole-1,3-dione
CID 99721737
3,4-dimethyl-1-phenyl-3-propan-2-ylpyrrolidine-2,5-dione
CID 123938434
(4R)-1-benzyl-4-hydroxy-3,3-dimethylpyrrolidine-2,5-dione
CID 100953267
4-hydroxy-5,5-dimethyl-3,4-diphenyl-1,3-oxazolidin-2-one
CID 12654053
3-hydroxy-5,5-dimethyl-4-phenyloxolan-2-one
CID 18436228

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4,4-dimethyl-2-phenyl-1,2-oxazolidin-3-one?
The IUPAC name of 5-hydroxy-4,4-dimethyl-2-phenyl-1,2-oxazolidin-3-one (CID 134102918) is 5-hydroxy-4,4-dimethyl-2-phenyl-1,2-oxazolidin-3-one.
What is the SMILES notation for 5-hydroxy-4,4-dimethyl-2-phenyl-1,2-oxazolidin-3-one?
The canonical SMILES for 5-hydroxy-4,4-dimethyl-2-phenyl-1,2-oxazolidin-3-one is CC1(C)C(=O)N(c2ccccc2)OC1O.
What is the InChIKey of 5-hydroxy-4,4-dimethyl-2-phenyl-1,2-oxazolidin-3-one?
The InChIKey is ZBVKBXYXFNZMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-11(2)9(13)12(15-10(11)14)8-6-4-3-5-7-8/h3-7,10,14H,1-2H3.
What are the key properties of 5-hydroxy-4,4-dimethyl-2-phenyl-1,2-oxazolidin-3-one?
5-hydroxy-4,4-dimethyl-2-phenyl-1,2-oxazolidin-3-one has a molecular weight of 207.23 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4,4-dimethyl-2-phenyl-1,2-oxazolidin-3-one is sourced from PubChem (CID 134102918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).