2,2-dimethyl-1-[(3S)-3-(6-methylpyrazin-2-yl)-1,2-oxazolidin-2-yl]propan-1-one

C13H19N3O2 — CID 129188723

IUPAC2,2-dimethyl-1-[(3S)-3-(6-methylpyrazin-2-yl)-1,2-oxazolidin-2-yl]propan-1-one
SMILESCc1cncc([C@@H]2CCON2C(=O)C(C)(C)C)n1
InChIInChI=1S/C13H19N3O2/c1-9-7-14-8-10(15-9)11-5-6-18-16(11)12(17)13(2,3)4/h7-8,11H,5-6H2,1-4H3/t11-/m0/s1
InChIKeyYROYOXTUJABZTG-NSHDSACASA-N
MW249.31 g/mol
LogP2.04
Rot. Bonds1

About 2,2-dimethyl-1-[(3S)-3-(6-methylpyrazin-2-yl)-1,2-oxazolidin-2-yl]propan-1-one

2,2-dimethyl-1-[(3S)-3-(6-methylpyrazin-2-yl)-1,2-oxazolidin-2-yl]propan-1-one (PubChem CID 129188723) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2,2-dimethyl-1-[(3S)-3-(6-methylpyrazin-2-yl)-1,2-oxazolidin-2-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[(3S)-3-(6-methylpyrazin-2-yl)-1,2-oxazolidin-2-yl]propan-1-one
PubChem CID129188723
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2,2-dimethyl-1-[(3S)-3-(6-methylpyrazin-2-yl)-1,2-oxazolidin-2-yl]propan-1-one
SMILESCc1cncc([C@@H]2CCON2C(=O)C(C)(C)C)n1
InChIInChI=1S/C13H19N3O2/c1-9-7-14-8-10(15-9)11-5-6-18-16(11)12(17)13(2,3)4/h7-8,11H,5-6H2,1-4H3/t11-/m0/s1
InChIKeyYROYOXTUJABZTG-NSHDSACASA-N
XLogP2.04
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[(3S)-3-(6-methylpyrazin-2-yl)-1,2-oxazolidin-2-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[(3S)-3-(6-methylpyrazin-2-yl)-1,2-oxazolidin-2-yl]propan-1-one (CID 129188723) is 2,2-dimethyl-1-[(3S)-3-(6-methylpyrazin-2-yl)-1,2-oxazolidin-2-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[(3S)-3-(6-methylpyrazin-2-yl)-1,2-oxazolidin-2-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[(3S)-3-(6-methylpyrazin-2-yl)-1,2-oxazolidin-2-yl]propan-1-one is Cc1cncc([C@@H]2CCON2C(=O)C(C)(C)C)n1.
What is the InChIKey of 2,2-dimethyl-1-[(3S)-3-(6-methylpyrazin-2-yl)-1,2-oxazolidin-2-yl]propan-1-one?
The InChIKey is YROYOXTUJABZTG-NSHDSACASA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9-7-14-8-10(15-9)11-5-6-18-16(11)12(17)13(2,3)4/h7-8,11H,5-6H2,1-4H3/t11-/m0/s1.
What are the key properties of 2,2-dimethyl-1-[(3S)-3-(6-methylpyrazin-2-yl)-1,2-oxazolidin-2-yl]propan-1-one?
2,2-dimethyl-1-[(3S)-3-(6-methylpyrazin-2-yl)-1,2-oxazolidin-2-yl]propan-1-one has a molecular weight of 249.31 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[(3S)-3-(6-methylpyrazin-2-yl)-1,2-oxazolidin-2-yl]propan-1-one is sourced from PubChem (CID 129188723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).