4-hydroxy-4,5,5-trimethyl-3-(1-phenylethyl)-1,3-oxazolidin-2-one

C14H19NO3 — CID 3438279

IUPAC4-hydroxy-4,5,5-trimethyl-3-(1-phenylethyl)-1,3-oxazolidin-2-one
SMILESCC(c1ccccc1)N1C(=O)OC(C)(C)C1(C)O
InChIInChI=1S/C14H19NO3/c1-10(11-8-6-5-7-9-11)15-12(16)18-13(2,3)14(15,4)17/h5-10,17H,1-4H3
InChIKeyVYPJIHOZAOLARI-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.69
Rot. Bonds2

About 4-hydroxy-4,5,5-trimethyl-3-(1-phenylethyl)-1,3-oxazolidin-2-one

4-hydroxy-4,5,5-trimethyl-3-(1-phenylethyl)-1,3-oxazolidin-2-one (PubChem CID 3438279) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-hydroxy-4,5,5-trimethyl-3-(1-phenylethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-hydroxy-4,5,5-trimethyl-3-(1-phenylethyl)-1,3-oxazolidin-2-one
PubChem CID3438279
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name4-hydroxy-4,5,5-trimethyl-3-(1-phenylethyl)-1,3-oxazolidin-2-one
SMILESCC(c1ccccc1)N1C(=O)OC(C)(C)C1(C)O
InChIInChI=1S/C14H19NO3/c1-10(11-8-6-5-7-9-11)15-12(16)18-13(2,3)14(15,4)17/h5-10,17H,1-4H3
InChIKeyVYPJIHOZAOLARI-UHFFFAOYSA-N
XLogP2.69
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Benzyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 2793798
3-Benzyl-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one
CID 3872332
Tert-butyl N-benzyl-N-(2-hydroxyethyl)carbamate
CID 10753247
4-Hydroxy-3,4,5-trimethyl-5-(2-phenylethyl)-1,3-oxazolidin-2-one
CID 3238221
Oxazolidin-2-one, 4-hydroxy-4,5,5-trimethyl-3-(2-phenylethyl)-
CID 568720
1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 4-hydroxy-3,4-dimethyl-8-(2-phenylethyl)-
CID 3077292
1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 8-(2-(4-fluorophenyl)ethyl)-4-hydroxy-4-methyl-3-(phenylmethyl)-, monohydrochloride
CID 3077293
1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 8-(2-(4-fluorophenyl)ethyl)-4-hydroxy-3,4-dimethyl-
CID 3077295
1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 8-(2-(4-fluorophenyl)ethyl)-4-hydroxy-4-methyl-3-(1-methylethyl)-
CID 3077303
1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 3-butyl-8-(2-(4-fluorophenyl)ethyl)-4-hydroxy-4-methyl-
CID 3077306
1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 3-ethyl-8-(2-(4-fluorophenyl)ethyl)-4-hydroxy-4-methyl-
CID 3077316
3-Benzyl-5,5-dimethyl-4-methylidene-1,3-oxazolidin-2-one
CID 689214

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4,5,5-trimethyl-3-(1-phenylethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 4-hydroxy-4,5,5-trimethyl-3-(1-phenylethyl)-1,3-oxazolidin-2-one (CID 3438279) is 4-hydroxy-4,5,5-trimethyl-3-(1-phenylethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-hydroxy-4,5,5-trimethyl-3-(1-phenylethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 4-hydroxy-4,5,5-trimethyl-3-(1-phenylethyl)-1,3-oxazolidin-2-one is CC(c1ccccc1)N1C(=O)OC(C)(C)C1(C)O.
What is the InChIKey of 4-hydroxy-4,5,5-trimethyl-3-(1-phenylethyl)-1,3-oxazolidin-2-one?
The InChIKey is VYPJIHOZAOLARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-10(11-8-6-5-7-9-11)15-12(16)18-13(2,3)14(15,4)17/h5-10,17H,1-4H3.
What are the key properties of 4-hydroxy-4,5,5-trimethyl-3-(1-phenylethyl)-1,3-oxazolidin-2-one?
4-hydroxy-4,5,5-trimethyl-3-(1-phenylethyl)-1,3-oxazolidin-2-one has a molecular weight of 249.31 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4,5,5-trimethyl-3-(1-phenylethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 3438279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).