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

C13H18N2O2 — CID 59135096

IUPAC(4R,5R)-3-tert-butyl-4-methyl-5-pyridin-3-yl-1,3-oxazolidin-2-one
SMILESC[C@@H]1[C@@H](c2cccnc2)OC(=O)N1C(C)(C)C
InChIInChI=1S/C13H18N2O2/c1-9-11(10-6-5-7-14-8-10)17-12(16)15(9)13(2,3)4/h5-9,11H,1-4H3/t9-,11+/m1/s1
InChIKeyANRFAUUXIXKAHZ-KOLCDFICSA-N
MW234.30 g/mol
LogP2.76
Rot. Bonds1

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

(4R,5R)-3-tert-butyl-4-methyl-5-pyridin-3-yl-1,3-oxazolidin-2-one (PubChem CID 59135096) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is (4R,5R)-3-tert-butyl-4-methyl-5-pyridin-3-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5R)-3-tert-butyl-4-methyl-5-pyridin-3-yl-1,3-oxazolidin-2-one
PubChem CID59135096
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name(4R,5R)-3-tert-butyl-4-methyl-5-pyridin-3-yl-1,3-oxazolidin-2-one
SMILESC[C@@H]1[C@@H](c2cccnc2)OC(=O)N1C(C)(C)C
InChIInChI=1S/C13H18N2O2/c1-9-11(10-6-5-7-14-8-10)17-12(16)15(9)13(2,3)4/h5-9,11H,1-4H3/t9-,11+/m1/s1
InChIKeyANRFAUUXIXKAHZ-KOLCDFICSA-N
XLogP2.76
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4S,5R)-3-tert-butyl-4-methyl-5-pyrimidin-5-yl-1,3-oxazolidin-2-one
CID 59135197
(4R,5R)-3-tert-butyl-5-(4-fluorophenyl)-4-methyl-1,3-oxazolidin-2-one
CID 59135116
4-methyl-3-[4-phenyl-3-(trifluoromethoxy)phenyl]-5-pyridin-3-yl-1,3-oxazolidin-2-one
CID 69053361
2-tert-butyl-3-pyridin-3-yloxaziridine
CID 10797418
3-[(1R,2R)-2-methylcyclopropyl]pyridine
CID 59474162
N-tert-butyl-2-pyridin-3-ylcyclopropan-1-amine
CID 167361066
3-[(2S,3S)-3-methyl-2,3-dihydrofuran-2-yl]pyridine
CID 11105660
3-(2-methylcyclobutyl)pyridine
CID 174716389
1-methyl-2,6-dipyridin-3-ylpiperidin-4-one
CID 67052519
(2R,3R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylic acid
CID 671219
(2R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylic acid;(3S)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylic acid
CID 160516256
4-methyl-5-phenyl-2-pyridin-3-yl-1,3-oxazolidine
CID 584280

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-3-tert-butyl-4-methyl-5-pyridin-3-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5R)-3-tert-butyl-4-methyl-5-pyridin-3-yl-1,3-oxazolidin-2-one (CID 59135096) is (4R,5R)-3-tert-butyl-4-methyl-5-pyridin-3-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5R)-3-tert-butyl-4-methyl-5-pyridin-3-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5R)-3-tert-butyl-4-methyl-5-pyridin-3-yl-1,3-oxazolidin-2-one is C[C@@H]1[C@@H](c2cccnc2)OC(=O)N1C(C)(C)C.
What is the InChIKey of (4R,5R)-3-tert-butyl-4-methyl-5-pyridin-3-yl-1,3-oxazolidin-2-one?
The InChIKey is ANRFAUUXIXKAHZ-KOLCDFICSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9-11(10-6-5-7-14-8-10)17-12(16)15(9)13(2,3)4/h5-9,11H,1-4H3/t9-,11+/m1/s1.
What are the key properties of (4R,5R)-3-tert-butyl-4-methyl-5-pyridin-3-yl-1,3-oxazolidin-2-one?
(4R,5R)-3-tert-butyl-4-methyl-5-pyridin-3-yl-1,3-oxazolidin-2-one has a molecular weight of 234.30 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-3-tert-butyl-4-methyl-5-pyridin-3-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 59135096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).