(4S)-2,2,4-trimethyl-1,3-oxazolidin-5-one

C6H11NO2 — CID 55300836

IUPAC(4S)-2,2,4-trimethyl-1,3-oxazolidin-5-one
SMILESC[C@@H]1NC(C)(C)OC1=O
InChIInChI=1S/C6H11NO2/c1-4-5(8)9-6(2,3)7-4/h4,7H,1-3H3/t4-/m0/s1
InChIKeyJRIPKNWVWLDNQK-BYPYZUCNSA-N
MW129.16 g/mol
LogP0.26
Rot. Bonds

About (4S)-2,2,4-trimethyl-1,3-oxazolidin-5-one

(4S)-2,2,4-trimethyl-1,3-oxazolidin-5-one (PubChem CID 55300836) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is (4S)-2,2,4-trimethyl-1,3-oxazolidin-5-one.

Molecular Properties

Compound Name(4S)-2,2,4-trimethyl-1,3-oxazolidin-5-one
PubChem CID55300836
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name(4S)-2,2,4-trimethyl-1,3-oxazolidin-5-one
SMILESC[C@@H]1NC(C)(C)OC1=O
InChIInChI=1S/C6H11NO2/c1-4-5(8)9-6(2,3)7-4/h4,7H,1-3H3/t4-/m0/s1
InChIKeyJRIPKNWVWLDNQK-BYPYZUCNSA-N
XLogP0.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-2,2,4-trimethyl-1,3-oxazolidin-5-one?
The IUPAC name of (4S)-2,2,4-trimethyl-1,3-oxazolidin-5-one (CID 55300836) is (4S)-2,2,4-trimethyl-1,3-oxazolidin-5-one.
What is the SMILES notation for (4S)-2,2,4-trimethyl-1,3-oxazolidin-5-one?
The canonical SMILES for (4S)-2,2,4-trimethyl-1,3-oxazolidin-5-one is C[C@@H]1NC(C)(C)OC1=O.
What is the InChIKey of (4S)-2,2,4-trimethyl-1,3-oxazolidin-5-one?
The InChIKey is JRIPKNWVWLDNQK-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H11NO2/c1-4-5(8)9-6(2,3)7-4/h4,7H,1-3H3/t4-/m0/s1.
What are the key properties of (4S)-2,2,4-trimethyl-1,3-oxazolidin-5-one?
(4S)-2,2,4-trimethyl-1,3-oxazolidin-5-one has a molecular weight of 129.16 g/mol, XLogP of 0.26, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2,2,4-trimethyl-1,3-oxazolidin-5-one is sourced from PubChem (CID 55300836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).