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

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

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Launch Full Analysis

Related Compounds

1-[(3S)-3-(5-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one
CID 129188882
1-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one;1-[(3R)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one
CID 157336429
1-[(3S)-3-(5-chloro-3-fluoro-2-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one
CID 129188737
2-[(2S)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]acetamide
CID 95821390
3,3-difluoro-2,2-dimethyl-1-[(3S)-3-(1-methylpyrazol-4-yl)-1,2-oxazolidin-2-yl]propan-1-one
CID 129188859
(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]methanone
CID 110114134
tert-butyl 3-(5-fluoro-4-methyl-3-pyridinyl)-1,2-oxazolidine-2-carboxylate
CID 175447838
2-methyl-6-[1-(oxan-4-ylmethyl)pyrrolidin-2-yl]pyrazine
CID 110096404
2,2-dimethyl-1-[(2S)-2-[6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 124982865
1-[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone
CID 124997340
1-[(3S)-3-(5-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethyl-3-(trifluoromethoxy)propan-1-one
CID 129188877
(2-methyl-1-benzofuran-5-yl)-[(2S)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]methanone
CID 125007396

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).