3-(3-hydroxy-2-methyl-3-phenylpropanoyl)-1,3-oxazolidin-2-one

C13H15NO4 — CID 10682057

IUPAC3-(3-hydroxy-2-methyl-3-phenylpropanoyl)-1,3-oxazolidin-2-one
SMILESCC(C(=O)N1CCOC1=O)C(O)c1ccccc1
InChIInChI=1S/C13H15NO4/c1-9(11(15)10-5-3-2-4-6-10)12(16)14-7-8-18-13(14)17/h2-6,9,11,15H,7-8H2,1H3
InChIKeySBIVDANNHNQBQM-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.33
Rot. Bonds3

About 3-(3-hydroxy-2-methyl-3-phenylpropanoyl)-1,3-oxazolidin-2-one

3-(3-hydroxy-2-methyl-3-phenylpropanoyl)-1,3-oxazolidin-2-one (PubChem CID 10682057) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is 3-(3-hydroxy-2-methyl-3-phenylpropanoyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(3-hydroxy-2-methyl-3-phenylpropanoyl)-1,3-oxazolidin-2-one
PubChem CID10682057
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Name3-(3-hydroxy-2-methyl-3-phenylpropanoyl)-1,3-oxazolidin-2-one
SMILESCC(C(=O)N1CCOC1=O)C(O)c1ccccc1
InChIInChI=1S/C13H15NO4/c1-9(11(15)10-5-3-2-4-6-10)12(16)14-7-8-18-13(14)17/h2-6,9,11,15H,7-8H2,1H3
InChIKeySBIVDANNHNQBQM-UHFFFAOYSA-N
XLogP1.33
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2S)-2-hydroxypropanoyl]-1,3-oxazolidin-2-one
CID 71425573
3-[(2R)-2-[(1S)-2-methyl-1-phenylpropyl]pent-4-enoyl]-1,3-oxazolidin-2-one
CID 101143575
3-[(3R)-4-methyl-3-phenylpentanoyl]-1,3-oxazolidin-2-one
CID 11139889
(2S,3R)-3-hydroxy-2-methyl-3-phenyl-1-piperidin-1-ylpropan-1-one
CID 10399733
3-(2-methylpropanoyl)-1,3-oxazolidin-2-one
CID 10397067
(4S)-4-benzyl-3-[(2S,3S)-3-hydroxy-2-methyl-3-phenylpropanoyl]-1,3-oxazolidin-2-one
CID 10497286
(3aR,7aR)-1,3-bis[(2R,3R)-3-hydroxy-2-methyl-3-phenylpropanoyl]-3a,4,5,6,7,7a-hexahydrobenzimidazol-2-one
CID 15177570
3-[(2S,3S)-3-phenyl-2-pyrrolidin-1-ylpent-4-enoyl]-1,3-oxazolidin-2-one
CID 146166726
3-(2-methyl-4-phenylmethoxybutanoyl)-1,3-oxazolidin-2-one
CID 137468469
3-[(2R,3S)-3-anilino-2-morpholin-4-yl-3-phenylpropanoyl]-1,3-oxazolidin-2-one
CID 11984003
3-[(2R,3R)-2-methyl-3-[(1S)-1-phenylmethoxyethyl]-5-trimethylsilylpent-4-ynoyl]-1,3-oxazolidin-2-one
CID 10596397
3-[3-phenyl-2-(4-phenylphenyl)propanoyl]-1,3-oxazolidin-2-one
CID 166438755

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-2-methyl-3-phenylpropanoyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(3-hydroxy-2-methyl-3-phenylpropanoyl)-1,3-oxazolidin-2-one (CID 10682057) is 3-(3-hydroxy-2-methyl-3-phenylpropanoyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(3-hydroxy-2-methyl-3-phenylpropanoyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(3-hydroxy-2-methyl-3-phenylpropanoyl)-1,3-oxazolidin-2-one is CC(C(=O)N1CCOC1=O)C(O)c1ccccc1.
What is the InChIKey of 3-(3-hydroxy-2-methyl-3-phenylpropanoyl)-1,3-oxazolidin-2-one?
The InChIKey is SBIVDANNHNQBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c1-9(11(15)10-5-3-2-4-6-10)12(16)14-7-8-18-13(14)17/h2-6,9,11,15H,7-8H2,1H3.
What are the key properties of 3-(3-hydroxy-2-methyl-3-phenylpropanoyl)-1,3-oxazolidin-2-one?
3-(3-hydroxy-2-methyl-3-phenylpropanoyl)-1,3-oxazolidin-2-one has a molecular weight of 249.27 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxy-2-methyl-3-phenylpropanoyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 10682057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).