(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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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).