[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-(oxan-2-yl)methanone

C9H15NO4 — CID 130522566

IUPAC[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-(oxan-2-yl)methanone
SMILESO=C(C1CCCCO1)N1C[C@H](O)CO1
InChIInChI=1S/C9H15NO4/c11-7-5-10(14-6-7)9(12)8-3-1-2-4-13-8/h7-8,11H,1-6H2/t7-,8?/m0/s1
InChIKeyWHCKDAFDYSQGIZ-JAMMHHFISA-N
MW201.22 g/mol
LogP-0.31
Rot. Bonds1

About [(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-(oxan-2-yl)methanone

[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-(oxan-2-yl)methanone (PubChem CID 130522566) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is [(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-(oxan-2-yl)methanone.

Molecular Properties

Compound Name[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-(oxan-2-yl)methanone
PubChem CID130522566
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-(oxan-2-yl)methanone
SMILESO=C(C1CCCCO1)N1C[C@H](O)CO1
InChIInChI=1S/C9H15NO4/c11-7-5-10(14-6-7)9(12)8-3-1-2-4-13-8/h7-8,11H,1-6H2/t7-,8?/m0/s1
InChIKeyWHCKDAFDYSQGIZ-JAMMHHFISA-N
XLogP-0.31
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-[(2S)-oxolan-2-yl]methanone
CID 130522568
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(oxan-2-yl)methanone
CID 79403349
(3,4-dihydroxypyrrolidin-1-yl)-(oxan-2-yl)methanone
CID 106671015
azepan-1-yl(oxan-2-yl)methanone
CID 64592467
(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[(2S)-oxolan-2-yl]methanone
CID 103873635
(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[(2R)-oxolan-2-yl]methanone
CID 103850249
(4-methylpiperazin-1-yl)-(oxan-2-yl)methanone
CID 64593251
(3-amino-4-methylpyrrolidin-1-yl)-(oxan-2-yl)methanone
CID 103575844
[3-(2-chloroethyl)piperidin-1-yl]-(oxan-2-yl)methanone
CID 63395711
4-(4-hydroxy-1,2-oxazolidine-2-carbonyl)-1,3-thiazolidin-2-one
CID 130522246
[3-(bromomethyl)pyrrolidin-1-yl]-(oxan-2-yl)methanone
CID 80666631
1-[(2S)-oxane-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 142318628

Frequently Asked Questions

What is the IUPAC name of [(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-(oxan-2-yl)methanone?
The IUPAC name of [(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-(oxan-2-yl)methanone (CID 130522566) is [(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-(oxan-2-yl)methanone.
What is the SMILES notation for [(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-(oxan-2-yl)methanone?
The canonical SMILES for [(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-(oxan-2-yl)methanone is O=C(C1CCCCO1)N1C[C@H](O)CO1.
What is the InChIKey of [(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-(oxan-2-yl)methanone?
The InChIKey is WHCKDAFDYSQGIZ-JAMMHHFISA-N. The full InChI is InChI=1S/C9H15NO4/c11-7-5-10(14-6-7)9(12)8-3-1-2-4-13-8/h7-8,11H,1-6H2/t7-,8?/m0/s1.
What are the key properties of [(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-(oxan-2-yl)methanone?
[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-(oxan-2-yl)methanone has a molecular weight of 201.22 g/mol, XLogP of -0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-(oxan-2-yl)methanone is sourced from PubChem (CID 130522566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).