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

C17H17NO3 — CID 12654053

IUPAC4-hydroxy-5,5-dimethyl-3,4-diphenyl-1,3-oxazolidin-2-one
SMILESCC1(C)OC(=O)N(c2ccccc2)C1(O)c1ccccc1
InChIInChI=1S/C17H17NO3/c1-16(2)17(20,13-9-5-3-6-10-13)18(15(19)21-16)14-11-7-4-8-12-14/h3-12,20H,1-2H3
InChIKeyKPDOOFFJEAEBNF-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.27
Rot. Bonds2

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

4-hydroxy-5,5-dimethyl-3,4-diphenyl-1,3-oxazolidin-2-one (PubChem CID 12654053) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 4-hydroxy-5,5-dimethyl-3,4-diphenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-hydroxy-5,5-dimethyl-3,4-diphenyl-1,3-oxazolidin-2-one
PubChem CID12654053
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name4-hydroxy-5,5-dimethyl-3,4-diphenyl-1,3-oxazolidin-2-one
SMILESCC1(C)OC(=O)N(c2ccccc2)C1(O)c1ccccc1
InChIInChI=1S/C17H17NO3/c1-16(2)17(20,13-9-5-3-6-10-13)18(15(19)21-16)14-11-7-4-8-12-14/h3-12,20H,1-2H3
InChIKeyKPDOOFFJEAEBNF-UHFFFAOYSA-N
XLogP3.27
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-hydroxy-4,5,5-trimethyl-3-pyridin-3-yl-1,3-oxazolidin-2-one
CID 691701
(4S)-5,5-dimethyl-3-phenylspiro[1,3-oxazolidine-4,2'-benzo[g]chromene]-2-one
CID 1108290
(4S,5S)-1,3-diethyl-4,5-dihydroxy-4,5-diphenylimidazolidin-2-one
CID 789461
(3R,4R)-3-methyl-1,3,4-triphenyl-4-sulfanylazetidin-2-one
CID 102253073
(5R)-4-hydroxy-5-methyl-5-phenylfuran-2-one
CID 69070002
5-(hydroxymethyl)-5-methyl-3-phenyl-1,3-oxazolidin-2-one
CID 115064715
(4R)-3-(benzylamino)-4-hydroxy-4,5,5-trimethyl-1,3-oxazolidin-2-one
CID 685731
3-ethyl-4-methyl-1,4-diphenylazetidin-2-one
CID 135025693
(3R,4S)-3-hydroxy-1,4-diphenyl-3-propan-2-ylazetidin-2-one
CID 15419094
1,5,5-triphenyl-2-sulfanylideneimidazolidin-4-one
CID 5379256
4-oxo-N,1,2-triphenylazetidine-2-carboxamide
CID 4564262
(3R)-3-hydroxy-2-(4-methylphenyl)-3-phenylisoindol-1-one
CID 7000102

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5,5-dimethyl-3,4-diphenyl-1,3-oxazolidin-2-one?
The IUPAC name of 4-hydroxy-5,5-dimethyl-3,4-diphenyl-1,3-oxazolidin-2-one (CID 12654053) is 4-hydroxy-5,5-dimethyl-3,4-diphenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-hydroxy-5,5-dimethyl-3,4-diphenyl-1,3-oxazolidin-2-one?
The canonical SMILES for 4-hydroxy-5,5-dimethyl-3,4-diphenyl-1,3-oxazolidin-2-one is CC1(C)OC(=O)N(c2ccccc2)C1(O)c1ccccc1.
What is the InChIKey of 4-hydroxy-5,5-dimethyl-3,4-diphenyl-1,3-oxazolidin-2-one?
The InChIKey is KPDOOFFJEAEBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-16(2)17(20,13-9-5-3-6-10-13)18(15(19)21-16)14-11-7-4-8-12-14/h3-12,20H,1-2H3.
What are the key properties of 4-hydroxy-5,5-dimethyl-3,4-diphenyl-1,3-oxazolidin-2-one?
4-hydroxy-5,5-dimethyl-3,4-diphenyl-1,3-oxazolidin-2-one has a molecular weight of 283.33 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5,5-dimethyl-3,4-diphenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 12654053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).