1-[(4R)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]ethanone

C8H15NO2 — CID 59911171

IUPAC1-[(4R)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]ethanone
SMILESCC(=O)[C@H]1COC(C)(C)N1C
InChIInChI=1S/C8H15NO2/c1-6(10)7-5-11-8(2,3)9(7)4/h7H,5H2,1-4H3/t7-/m1/s1
InChIKeyBQIAIAQPAHDQPS-SSDOTTSWSA-N
MW157.21 g/mol
LogP0.64
Rot. Bonds1

About 1-[(4R)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]ethanone

1-[(4R)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]ethanone (PubChem CID 59911171) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 1-[(4R)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]ethanone.

Molecular Properties

Compound Name1-[(4R)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]ethanone
PubChem CID59911171
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name1-[(4R)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]ethanone
SMILESCC(=O)[C@H]1COC(C)(C)N1C
InChIInChI=1S/C8H15NO2/c1-6(10)7-5-11-8(2,3)9(7)4/h7H,5H2,1-4H3/t7-/m1/s1
InChIKeyBQIAIAQPAHDQPS-SSDOTTSWSA-N
XLogP0.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]ethanone?
The IUPAC name of 1-[(4R)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]ethanone (CID 59911171) is 1-[(4R)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]ethanone.
What is the SMILES notation for 1-[(4R)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]ethanone?
The canonical SMILES for 1-[(4R)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]ethanone is CC(=O)[C@H]1COC(C)(C)N1C.
What is the InChIKey of 1-[(4R)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]ethanone?
The InChIKey is BQIAIAQPAHDQPS-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H15NO2/c1-6(10)7-5-11-8(2,3)9(7)4/h7H,5H2,1-4H3/t7-/m1/s1.
What are the key properties of 1-[(4R)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]ethanone?
1-[(4R)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]ethanone has a molecular weight of 157.21 g/mol, XLogP of 0.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]ethanone is sourced from PubChem (CID 59911171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).