(4R,5R)-5-cyclohexyl-3-hydroxy-4-methyl-1,3-oxazolidin-2-one

C10H17NO3 — CID 122212383

IUPAC(4R,5R)-5-cyclohexyl-3-hydroxy-4-methyl-1,3-oxazolidin-2-one
SMILESC[C@@H]1[C@@H](C2CCCCC2)OC(=O)N1O
InChIInChI=1S/C10H17NO3/c1-7-9(14-10(12)11(7)13)8-5-3-2-4-6-8/h7-9,13H,2-6H2,1H3/t7-,9+/m1/s1
InChIKeyQJELRRBBUPDDBQ-APPZFPTMSA-N
MW199.25 g/mol
LogP2.17
Rot. Bonds1

About (4R,5R)-5-cyclohexyl-3-hydroxy-4-methyl-1,3-oxazolidin-2-one

(4R,5R)-5-cyclohexyl-3-hydroxy-4-methyl-1,3-oxazolidin-2-one (PubChem CID 122212383) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is (4R,5R)-5-cyclohexyl-3-hydroxy-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5R)-5-cyclohexyl-3-hydroxy-4-methyl-1,3-oxazolidin-2-one
PubChem CID122212383
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name(4R,5R)-5-cyclohexyl-3-hydroxy-4-methyl-1,3-oxazolidin-2-one
SMILESC[C@@H]1[C@@H](C2CCCCC2)OC(=O)N1O
InChIInChI=1S/C10H17NO3/c1-7-9(14-10(12)11(7)13)8-5-3-2-4-6-8/h7-9,13H,2-6H2,1H3/t7-,9+/m1/s1
InChIKeyQJELRRBBUPDDBQ-APPZFPTMSA-N
XLogP2.17
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}

Analyze (4R,5R)-5-cyclohexyl-3-hydroxy-4-methyl-1,3-oxazolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-[(1S)-1-cyclohexyl-2-hydroxyethyl]-N-hydroxycarbamate
CID 162409268
(4S)-4-(cyclohexylmethyl)-3-(3-hydroxypentyl)-1,3-oxazolidin-2-one
CID 18632974
4-(Cyclohexylmethyl)-2-oxo-1,3-oxazolidine-3-carboxylic acid
CID 19909170
4-(Cyclohexylmethyl)-2,2-dimethyl-3-oxazolidinecarboxylic acid, 1,1-dimethylethyl ester
CID 21624152
4-(Cyclohexylmethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
CID 21654838
(4S)-4-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-3-carboxylic acid
CID 22842561
tert-butyl (4S)-4-(cyclohexylmethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 53652397
5-Cyclohexyl-4-ethyl-1,3-oxazolidin-2-one
CID 56987519
3-Tert-butyl-5-cyclohexyl-1,3-oxazolidin-2-one
CID 59135095
(4S,5R)-3-tert-butyl-5-cyclohexyl-4-methyl-1,3-oxazolidin-2-one
CID 59135142
4-Cyclohexyl-3-methyl-1,3-oxazolidin-2-one
CID 67550689
(4S,5R)-5-cyclohexyl-4-methyl-1,3-oxazolidin-2-one
CID 68075480

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-5-cyclohexyl-3-hydroxy-4-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5R)-5-cyclohexyl-3-hydroxy-4-methyl-1,3-oxazolidin-2-one (CID 122212383) is (4R,5R)-5-cyclohexyl-3-hydroxy-4-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5R)-5-cyclohexyl-3-hydroxy-4-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5R)-5-cyclohexyl-3-hydroxy-4-methyl-1,3-oxazolidin-2-one is C[C@@H]1[C@@H](C2CCCCC2)OC(=O)N1O.
What is the InChIKey of (4R,5R)-5-cyclohexyl-3-hydroxy-4-methyl-1,3-oxazolidin-2-one?
The InChIKey is QJELRRBBUPDDBQ-APPZFPTMSA-N. The full InChI is InChI=1S/C10H17NO3/c1-7-9(14-10(12)11(7)13)8-5-3-2-4-6-8/h7-9,13H,2-6H2,1H3/t7-,9+/m1/s1.
What are the key properties of (4R,5R)-5-cyclohexyl-3-hydroxy-4-methyl-1,3-oxazolidin-2-one?
(4R,5R)-5-cyclohexyl-3-hydroxy-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 199.25 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-5-cyclohexyl-3-hydroxy-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 122212383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).