1-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]-3-methylbutan-1-one

C8H15NO3 — CID 130522667

IUPAC1-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]-3-methylbutan-1-one
SMILESCC(C)CC(=O)N1C[C@@H](O)CO1
InChIInChI=1S/C8H15NO3/c1-6(2)3-8(11)9-4-7(10)5-12-9/h6-7,10H,3-5H2,1-2H3/t7-/m1/s1
InChIKeyCEUZSGGYQKMVQX-SSDOTTSWSA-N
MW173.21 g/mol
LogP0.17
Rot. Bonds2

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

1-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]-3-methylbutan-1-one (PubChem CID 130522667) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 1-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]-3-methylbutan-1-one.

Molecular Properties

Compound Name1-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]-3-methylbutan-1-one
PubChem CID130522667
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name1-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]-3-methylbutan-1-one
SMILESCC(C)CC(=O)N1C[C@@H](O)CO1
InChIInChI=1S/C8H15NO3/c1-6(2)3-8(11)9-4-7(10)5-12-9/h6-7,10H,3-5H2,1-2H3/t7-/m1/s1
InChIKeyCEUZSGGYQKMVQX-SSDOTTSWSA-N
XLogP0.17
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]-2-methylpropan-1-one
CID 130522622
N-[2-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]-2-oxoethyl]acetamide
CID 130522721
(4S)-4-hydroxy-N-propyl-1,2-oxazolidine-2-carboxamide
CID 130522815
(4-hydroxy-1,2-oxazolidin-2-yl)-(1-methylcyclopropyl)methanone
CID 130553362
2-(4-bromophenyl)sulfanyl-1-(4-hydroxy-1,2-oxazolidin-2-yl)ethanone
CID 112736721
1-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]-2-(4-nitrophenyl)ethanone
CID 112736898
(2S,4R)-4-hydroxy-1-(3-methylbutanoyl)pyrrolidine-2-carboxylic acid
CID 30053802
(4-hydroxy-1,2-oxazolidin-2-yl)-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
CID 112736689
[1-(4-hydroxy-1,2-oxazolidin-2-yl)-4-methylsulfanyl-1-oxobutan-2-yl]urea
CID 112736699
1-[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-2-(2,5,7-trimethyl-1H-indol-3-yl)ethanone
CID 97119155
1-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]-2-(2,5,7-trimethyl-1H-indol-3-yl)ethanone
CID 97119156
1-(4-hydroxy-3,3-dimethylpyrrolidin-1-yl)-3-methylbutan-1-one
CID 130871006

Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]-3-methylbutan-1-one?
The IUPAC name of 1-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]-3-methylbutan-1-one (CID 130522667) is 1-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]-3-methylbutan-1-one.
What is the SMILES notation for 1-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]-3-methylbutan-1-one?
The canonical SMILES for 1-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]-3-methylbutan-1-one is CC(C)CC(=O)N1C[C@@H](O)CO1.
What is the InChIKey of 1-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]-3-methylbutan-1-one?
The InChIKey is CEUZSGGYQKMVQX-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H15NO3/c1-6(2)3-8(11)9-4-7(10)5-12-9/h6-7,10H,3-5H2,1-2H3/t7-/m1/s1.
What are the key properties of 1-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]-3-methylbutan-1-one?
1-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]-3-methylbutan-1-one has a molecular weight of 173.21 g/mol, XLogP of 0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]-3-methylbutan-1-one is sourced from PubChem (CID 130522667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).