3-tert-butyl-5-cyclohexyl-1,3-oxazolidin-2-one

C13H23NO2 — CID 59135095

IUPAC3-tert-butyl-5-cyclohexyl-1,3-oxazolidin-2-one
SMILESCC(C)(C)N1CC(C2CCCCC2)OC1=O
InChIInChI=1S/C13H23NO2/c1-13(2,3)14-9-11(16-12(14)15)10-7-5-4-6-8-10/h10-11H,4-9H2,1-3H3
InChIKeyLCTUUUUILGTVDI-UHFFFAOYSA-N
MW225.33 g/mol
LogP3.19
Rot. Bonds1

About 3-tert-butyl-5-cyclohexyl-1,3-oxazolidin-2-one

3-tert-butyl-5-cyclohexyl-1,3-oxazolidin-2-one (PubChem CID 59135095) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 3-tert-butyl-5-cyclohexyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-tert-butyl-5-cyclohexyl-1,3-oxazolidin-2-one
PubChem CID59135095
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name3-tert-butyl-5-cyclohexyl-1,3-oxazolidin-2-one
SMILESCC(C)(C)N1CC(C2CCCCC2)OC1=O
InChIInChI=1S/C13H23NO2/c1-13(2,3)14-9-11(16-12(14)15)10-7-5-4-6-8-10/h10-11H,4-9H2,1-3H3
InChIKeyLCTUUUUILGTVDI-UHFFFAOYSA-N
XLogP3.19
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[Cyclohexyl(difluoro)methyl]-3-methyl-1,3-oxazolidin-2-one
CID 101432698
(S)-tert-butyl 4-((1-fluorocyclohexyl)methyl)-2,2-dimethyloxazolidine-3-carboxylate
CID 59201498
Tert-butyl 4-[(1-fluorocyclohexyl)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 68716665
(4S)-4-[(1-fluorocyclohexyl)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
CID 143486936
(4R,5R)-5-cyclohexyl-3-hydroxy-4-methyl-1,3-oxazolidin-2-one
CID 122212383
(1S,8aS)-1-ethyl-8a-methyl-5,6,7,8-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyridin-3-one
CID 134905525
(1R,8aS)-8a-methyl-1-propan-2-yl-5,6,7,8-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyridin-3-one
CID 134905808
(1R,8aS)-1-ethyl-8a-methyl-5,6,7,8-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyridin-3-one
CID 134905834
(1S,8aS)-1,8a-dimethyl-5,6,7,8-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyridin-3-one
CID 134905845
3-Cyclohexyl-5-tetradecyl-1,3-oxazolidin-2-one
CID 134914975
(1S,8aS)-8a-methyl-1-propan-2-yl-5,6,7,8-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyridin-3-one
CID 134975979
(1R,8aS)-1,8a-dimethyl-5,6,7,8-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyridin-3-one
CID 134976002

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-cyclohexyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-tert-butyl-5-cyclohexyl-1,3-oxazolidin-2-one (CID 59135095) is 3-tert-butyl-5-cyclohexyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-tert-butyl-5-cyclohexyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-tert-butyl-5-cyclohexyl-1,3-oxazolidin-2-one is CC(C)(C)N1CC(C2CCCCC2)OC1=O.
What is the InChIKey of 3-tert-butyl-5-cyclohexyl-1,3-oxazolidin-2-one?
The InChIKey is LCTUUUUILGTVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-13(2,3)14-9-11(16-12(14)15)10-7-5-4-6-8-10/h10-11H,4-9H2,1-3H3.
What are the key properties of 3-tert-butyl-5-cyclohexyl-1,3-oxazolidin-2-one?
3-tert-butyl-5-cyclohexyl-1,3-oxazolidin-2-one has a molecular weight of 225.33 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-cyclohexyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 59135095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).