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

C12H21NO2 — CID 70899637

IUPAC(4S,5R)-5-cyclohexyl-3-ethyl-4-methyl-1,3-oxazolidin-2-one
SMILESCCN1C(=O)O[C@H](C2CCCCC2)[C@@H]1C
InChIInChI=1S/C12H21NO2/c1-3-13-9(2)11(15-12(13)14)10-7-5-4-6-8-10/h9-11H,3-8H2,1-2H3/t9-,11-/m0/s1
InChIKeyQORRUWUPVPRGMW-ONGXEEELSA-N
MW211.30 g/mol
LogP2.80
Rot. Bonds2

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

(4S,5R)-5-cyclohexyl-3-ethyl-4-methyl-1,3-oxazolidin-2-one (PubChem CID 70899637) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is (4S,5R)-5-cyclohexyl-3-ethyl-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-5-cyclohexyl-3-ethyl-4-methyl-1,3-oxazolidin-2-one
PubChem CID70899637
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name(4S,5R)-5-cyclohexyl-3-ethyl-4-methyl-1,3-oxazolidin-2-one
SMILESCCN1C(=O)O[C@H](C2CCCCC2)[C@@H]1C
InChIInChI=1S/C12H21NO2/c1-3-13-9(2)11(15-12(13)14)10-7-5-4-6-8-10/h9-11H,3-8H2,1-2H3/t9-,11-/m0/s1
InChIKeyQORRUWUPVPRGMW-ONGXEEELSA-N
XLogP2.80
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.80
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
(4S)-4-(cyclohexylmethyl)-3-(3,3-difluoro-2-oxopropyl)-1,3-oxazolidin-2-one
CID 54063360
(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
tert-butyl (2S)-2-[cyclohexyl(methoxy)methyl]-4,4-difluoropyrrolidine-1-carboxylate
CID 70228634
(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
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

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-5-cyclohexyl-3-ethyl-4-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5R)-5-cyclohexyl-3-ethyl-4-methyl-1,3-oxazolidin-2-one (CID 70899637) is (4S,5R)-5-cyclohexyl-3-ethyl-4-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5R)-5-cyclohexyl-3-ethyl-4-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5R)-5-cyclohexyl-3-ethyl-4-methyl-1,3-oxazolidin-2-one is CCN1C(=O)O[C@H](C2CCCCC2)[C@@H]1C.
What is the InChIKey of (4S,5R)-5-cyclohexyl-3-ethyl-4-methyl-1,3-oxazolidin-2-one?
The InChIKey is QORRUWUPVPRGMW-ONGXEEELSA-N. The full InChI is InChI=1S/C12H21NO2/c1-3-13-9(2)11(15-12(13)14)10-7-5-4-6-8-10/h9-11H,3-8H2,1-2H3/t9-,11-/m0/s1.
What are the key properties of (4S,5R)-5-cyclohexyl-3-ethyl-4-methyl-1,3-oxazolidin-2-one?
(4S,5R)-5-cyclohexyl-3-ethyl-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 211.30 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-5-cyclohexyl-3-ethyl-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 70899637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).