(5S)-3-tert-butyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one

C8H15NO3 — CID 2793788

IUPAC(5S)-3-tert-butyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESCC(C)(C)N1C[C@@H](CO)OC1=O
InChIInChI=1S/C8H15NO3/c1-8(2,3)9-4-6(5-10)12-7(9)11/h6,10H,4-5H2,1-3H3/t6-/m0/s1
InChIKeySSMIUHOOMMVZNL-LURJTMIESA-N
MW173.21 g/mol
LogP0.60
Rot. Bonds1

About (5S)-3-tert-butyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one

(5S)-3-tert-butyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one (PubChem CID 2793788) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is (5S)-3-tert-butyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-3-tert-butyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one
PubChem CID2793788
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name(5S)-3-tert-butyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESCC(C)(C)N1C[C@@H](CO)OC1=O
InChIInChI=1S/C8H15NO3/c1-8(2,3)9-4-6(5-10)12-7(9)11/h6,10H,4-5H2,1-3H3/t6-/m0/s1
InChIKeySSMIUHOOMMVZNL-LURJTMIESA-N
XLogP0.60
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Compound 10
CID 13329883
5-(Hydroxymethyl)-3-methyl-1,3-oxazolidin-2-one
CID 14456876
3-(1,1-Dimethylethyl)-5-(hydroxymethyl)oxazolidin-2-one
CID 2802885
5-(Hydroxymethyl)-3-(1-methylethyl)oxazolidin-2-one
CID 2793992
rac-tert-butyl (3R,4R)-3-hydroxy-4-methoxypyrrolidine-1-carboxylate
CID 14948608
(5S)-5-(hydroxymethyl)-3-methyl-1,3-oxazolidin-2-one
CID 45087456
3-Cyclopropyl-5-(hydroxymethyl)oxazolidin-2-one
CID 90190338
2-Oxazolidinone, 5-(hydroxymethyl)-3-(1-methylethyl)-, (S)-
CID 10877402
4-Hydroxy-3-(2-hydroxyethyl)-4,5,5-trimethyl-1,3-oxazolidin-2-one
CID 5133683
tert-butyl (3R,4R)-3-hydroxy-4-(2-hydroxyethoxy)pyrrolidine-1-carboxylate
CID 54052542
(S)-3-(1,1-Dimethylethyl)oxazolidine-5-methanol
CID 121778
[(5S)-3-tert-butyl-1,3-oxazolidin-5-yl]methanol
CID 21120093

Frequently Asked Questions

What is the IUPAC name of (5S)-3-tert-butyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-3-tert-butyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one (CID 2793788) is (5S)-3-tert-butyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-3-tert-butyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-3-tert-butyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one is CC(C)(C)N1C[C@@H](CO)OC1=O.
What is the InChIKey of (5S)-3-tert-butyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is SSMIUHOOMMVZNL-LURJTMIESA-N. The full InChI is InChI=1S/C8H15NO3/c1-8(2,3)9-4-6(5-10)12-7(9)11/h6,10H,4-5H2,1-3H3/t6-/m0/s1.
What are the key properties of (5S)-3-tert-butyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
(5S)-3-tert-butyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 173.21 g/mol, XLogP of 0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-tert-butyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 2793788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).