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

C14H25NO2 — CID 59135142

IUPAC(4S,5R)-3-tert-butyl-5-cyclohexyl-4-methyl-1,3-oxazolidin-2-one
SMILESC[C@H]1[C@@H](C2CCCCC2)OC(=O)N1C(C)(C)C
InChIInChI=1S/C14H25NO2/c1-10-12(11-8-6-5-7-9-11)17-13(16)15(10)14(2,3)4/h10-12H,5-9H2,1-4H3/t10-,12-/m0/s1
InChIKeyIUUWTWIRUGGHPF-JQWIXIFHSA-N
MW239.36 g/mol
LogP3.57
Rot. Bonds1

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

(4S,5R)-3-tert-butyl-5-cyclohexyl-4-methyl-1,3-oxazolidin-2-one (PubChem CID 59135142) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is (4S,5R)-3-tert-butyl-5-cyclohexyl-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-3-tert-butyl-5-cyclohexyl-4-methyl-1,3-oxazolidin-2-one
PubChem CID59135142
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name(4S,5R)-3-tert-butyl-5-cyclohexyl-4-methyl-1,3-oxazolidin-2-one
SMILESC[C@H]1[C@@H](C2CCCCC2)OC(=O)N1C(C)(C)C
InChIInChI=1S/C14H25NO2/c1-10-12(11-8-6-5-7-9-11)17-13(16)15(10)14(2,3)4/h10-12H,5-9H2,1-4H3/t10-,12-/m0/s1
InChIKeyIUUWTWIRUGGHPF-JQWIXIFHSA-N
XLogP3.57
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-3-tert-butyl-5-cyclohexyl-4-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5R)-3-tert-butyl-5-cyclohexyl-4-methyl-1,3-oxazolidin-2-one (CID 59135142) is (4S,5R)-3-tert-butyl-5-cyclohexyl-4-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5R)-3-tert-butyl-5-cyclohexyl-4-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5R)-3-tert-butyl-5-cyclohexyl-4-methyl-1,3-oxazolidin-2-one is C[C@H]1[C@@H](C2CCCCC2)OC(=O)N1C(C)(C)C.
What is the InChIKey of (4S,5R)-3-tert-butyl-5-cyclohexyl-4-methyl-1,3-oxazolidin-2-one?
The InChIKey is IUUWTWIRUGGHPF-JQWIXIFHSA-N. The full InChI is InChI=1S/C14H25NO2/c1-10-12(11-8-6-5-7-9-11)17-13(16)15(10)14(2,3)4/h10-12H,5-9H2,1-4H3/t10-,12-/m0/s1.
What are the key properties of (4S,5R)-3-tert-butyl-5-cyclohexyl-4-methyl-1,3-oxazolidin-2-one?
(4S,5R)-3-tert-butyl-5-cyclohexyl-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 239.36 g/mol, XLogP of 3.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-3-tert-butyl-5-cyclohexyl-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 59135142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).