(2S)-1-[(4R)-2-hydroxy-4-propan-2-yl-1,3-oxazolidin-3-yl]-2-phenylpropan-1-one

C15H21NO3 — CID 11436982

IUPAC(2S)-1-[(4R)-2-hydroxy-4-propan-2-yl-1,3-oxazolidin-3-yl]-2-phenylpropan-1-one
SMILESCC(C)[C@@H]1COC(O)N1C(=O)[C@@H](C)c1ccccc1
InChIInChI=1S/C15H21NO3/c1-10(2)13-9-19-15(18)16(13)14(17)11(3)12-7-5-4-6-8-12/h4-8,10-11,13,15,18H,9H2,1-3H3/t11-,13-,15?/m0/s1
InChIKeyREOOFSZJFVFFOB-HEIKZBPMSA-N
MW263.34 g/mol
LogP1.95
Rot. Bonds3

About (2S)-1-[(4R)-2-hydroxy-4-propan-2-yl-1,3-oxazolidin-3-yl]-2-phenylpropan-1-one

(2S)-1-[(4R)-2-hydroxy-4-propan-2-yl-1,3-oxazolidin-3-yl]-2-phenylpropan-1-one (PubChem CID 11436982) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is (2S)-1-[(4R)-2-hydroxy-4-propan-2-yl-1,3-oxazolidin-3-yl]-2-phenylpropan-1-one.

Molecular Properties

Compound Name(2S)-1-[(4R)-2-hydroxy-4-propan-2-yl-1,3-oxazolidin-3-yl]-2-phenylpropan-1-one
PubChem CID11436982
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name(2S)-1-[(4R)-2-hydroxy-4-propan-2-yl-1,3-oxazolidin-3-yl]-2-phenylpropan-1-one
SMILESCC(C)[C@@H]1COC(O)N1C(=O)[C@@H](C)c1ccccc1
InChIInChI=1S/C15H21NO3/c1-10(2)13-9-19-15(18)16(13)14(17)11(3)12-7-5-4-6-8-12/h4-8,10-11,13,15,18H,9H2,1-3H3/t11-,13-,15?/m0/s1
InChIKeyREOOFSZJFVFFOB-HEIKZBPMSA-N
XLogP1.95
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-1-[(4R)-2-hydroxy-4-propan-2-yl-1,3-oxazolidin-3-yl]-2-phenylpropan-1-one with MolForge

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Related Compounds

(2R)-1-[(4R)-2-hydroxy-4-propan-2-yl-1,3-oxazolidin-3-yl]-2,3-dimethyl-5-phenylmethoxypentan-1-one
CID 171791512
1-[(2S)-4-methyl-2-propan-2-ylpyrrolidin-1-yl]-2-phenylpropan-1-one
CID 146518635
(2R)-2-phenyl-1-[4-[(2R)-2-phenylpropanoyl]piperazin-1-yl]propan-1-one
CID 94855656
4-phenyl-3-(2-phenylpropanoyl)-1,3-oxazolidin-2-one
CID 59942448
2-phenylpropanoic acid;hydrate
CID 139796091
methane;(2R)-2-phenylpropanoic acid
CID 162174165
2-phenylpropanoic acid;dihydrochloride
CID 162109025
benzyl (4S)-2-methyl-4-propan-2-yl-1,3-oxazolidine-3-carboxylate
CID 138980716
4-(2-phenylpropanoyl)piperazine-1-carboxylic acid
CID 123978290
ethane-1,2-diol;2-phenylpropanoic acid
CID 175461834
2-phenyl-1-piperazin-1-ylpropan-1-one
CID 52983882
2-phenyl-1-[(4S)-4-propyl-2-selanylidene-1,3-oxazolidin-3-yl]propan-1-one
CID 10448903

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(4R)-2-hydroxy-4-propan-2-yl-1,3-oxazolidin-3-yl]-2-phenylpropan-1-one?
The IUPAC name of (2S)-1-[(4R)-2-hydroxy-4-propan-2-yl-1,3-oxazolidin-3-yl]-2-phenylpropan-1-one (CID 11436982) is (2S)-1-[(4R)-2-hydroxy-4-propan-2-yl-1,3-oxazolidin-3-yl]-2-phenylpropan-1-one.
What is the SMILES notation for (2S)-1-[(4R)-2-hydroxy-4-propan-2-yl-1,3-oxazolidin-3-yl]-2-phenylpropan-1-one?
The canonical SMILES for (2S)-1-[(4R)-2-hydroxy-4-propan-2-yl-1,3-oxazolidin-3-yl]-2-phenylpropan-1-one is CC(C)[C@@H]1COC(O)N1C(=O)[C@@H](C)c1ccccc1.
What is the InChIKey of (2S)-1-[(4R)-2-hydroxy-4-propan-2-yl-1,3-oxazolidin-3-yl]-2-phenylpropan-1-one?
The InChIKey is REOOFSZJFVFFOB-HEIKZBPMSA-N. The full InChI is InChI=1S/C15H21NO3/c1-10(2)13-9-19-15(18)16(13)14(17)11(3)12-7-5-4-6-8-12/h4-8,10-11,13,15,18H,9H2,1-3H3/t11-,13-,15?/m0/s1.
What are the key properties of (2S)-1-[(4R)-2-hydroxy-4-propan-2-yl-1,3-oxazolidin-3-yl]-2-phenylpropan-1-one?
(2S)-1-[(4R)-2-hydroxy-4-propan-2-yl-1,3-oxazolidin-3-yl]-2-phenylpropan-1-one has a molecular weight of 263.34 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(4R)-2-hydroxy-4-propan-2-yl-1,3-oxazolidin-3-yl]-2-phenylpropan-1-one is sourced from PubChem (CID 11436982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).