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

C8H15NO2 — CID 15632314

IUPAC(4R,5S)-4-tert-butyl-5-methyl-1,3-oxazolidin-2-one
SMILESC[C@@H]1OC(=O)N[C@@H]1C(C)(C)C
InChIInChI=1S/C8H15NO2/c1-5-6(8(2,3)4)9-7(10)11-5/h5-6H,1-4H3,(H,9,10)/t5-,6-/m0/s1
InChIKeySWMIQHDRPJPYJM-WDSKDSINSA-N
MW157.21 g/mol
LogP1.53
Rot. Bonds

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

(4R,5S)-4-tert-butyl-5-methyl-1,3-oxazolidin-2-one (PubChem CID 15632314) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (4R,5S)-4-tert-butyl-5-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-4-tert-butyl-5-methyl-1,3-oxazolidin-2-one
PubChem CID15632314
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(4R,5S)-4-tert-butyl-5-methyl-1,3-oxazolidin-2-one
SMILESC[C@@H]1OC(=O)N[C@@H]1C(C)(C)C
InChIInChI=1S/C8H15NO2/c1-5-6(8(2,3)4)9-7(10)11-5/h5-6H,1-4H3,(H,9,10)/t5-,6-/m0/s1
InChIKeySWMIQHDRPJPYJM-WDSKDSINSA-N
XLogP1.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4-tert-butyl-5-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5S)-4-tert-butyl-5-methyl-1,3-oxazolidin-2-one (CID 15632314) is (4R,5S)-4-tert-butyl-5-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5S)-4-tert-butyl-5-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5S)-4-tert-butyl-5-methyl-1,3-oxazolidin-2-one is C[C@@H]1OC(=O)N[C@@H]1C(C)(C)C.
What is the InChIKey of (4R,5S)-4-tert-butyl-5-methyl-1,3-oxazolidin-2-one?
The InChIKey is SWMIQHDRPJPYJM-WDSKDSINSA-N. The full InChI is InChI=1S/C8H15NO2/c1-5-6(8(2,3)4)9-7(10)11-5/h5-6H,1-4H3,(H,9,10)/t5-,6-/m0/s1.
What are the key properties of (4R,5S)-4-tert-butyl-5-methyl-1,3-oxazolidin-2-one?
(4R,5S)-4-tert-butyl-5-methyl-1,3-oxazolidin-2-one has a molecular weight of 157.21 g/mol, XLogP of 1.53, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4-tert-butyl-5-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 15632314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).