3-[5-acetyl-6-(6-azaspiro[2.5]octan-6-yl)-2-pyridinyl]-4,4-dimethyl-1,3-oxazolidin-2-one;3-(5-acetyl-6-fluoro-2-pyridinyl)-4,4-dimethyl-1,3-oxazolidin-2-one;6-azaspiro[2.5]octane;2-(6-azaspiro[2.5]octan-6-yl)-6-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)pyridine-3-carboxylic acid;2,6-difluoropyridine-3-carboxylic acid;1-(2,6-difluoro-3-pyridinyl)ethanone;4,4-dimethyl-1,3-oxazolidin-2-one

C74H91F5N12O15 — CID 167608405

IUPAC3-[5-acetyl-6-(6-azaspiro[2.5]octan-6-yl)-2-pyridinyl]-4,4-dimethyl-1,3-oxazolidin-2-one;3-(5-acetyl-6-fluoro-2-pyridinyl)-4,4-dimethyl-1,3-oxazolidin-2-one;6-azaspiro[2.5]octane;2-(6-azaspiro[2.5]octan-6-yl)-6-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)pyridine-3-carboxylic acid;2,6-difluoropyridine-3-carboxylic acid;1-(2,6-difluoro-3-pyridinyl)ethanone;4,4-dimethyl-1,3-oxazolidin-2-one
SMILESC1CC2(CCN1)CC2.CC(=O)c1ccc(F)nc1F.CC(=O)c1ccc(N2C(=O)OCC2(C)C)nc1F.CC(=O)c1ccc(N2C(=O)OCC2(C)C)nc1N1CCC2(CC1)CC2.CC1(C)COC(=O)N1.CC1(C)COC(=O)N1c1ccc(C(=O)O)c(N2CCC3(CC2)CC3)n1.O=C(O)c1ccc(F)nc1F
InChIInChI=1S/C19H25N3O3.C18H23N3O4.C12H13FN2O3.C7H5F2NO.C7H13N.C6H3F2NO2.C5H9NO2/c1-13(23)14-4-5-15(22-17(24)25-12-18(22,2)3)20-16(14)21-10-8-19(6-7-19)9-11-21;1-17(2)11-25-16(24)21(17)13-4-3-12(15(22)23)14(19-13)20-9-7-18(5-6-18)8-10-20;1-7(16)8-4-5-9(14-10(8)13)15-11(17)18-6-12(15,2)3;1-4(11)5-2-3-6(8)10-7(5)9;1-2-7(1)3-5-8-6-4-7;7-4-2-1-3(6(10)11)5(8)9-4;1-5(2)3-8-4(7)6-5/h4-5H,6-12H2,1-3H3;3-4H,5-11H2,1-2H3,(H,22,23);4-5H,6H2,1-3H3;2-3H,1H3;8H,1-6H2;1-2H,(H,10,11);3H2,1-2H3,(H,6,7)
InChIKeyKRWKPLBIRKSWEC-UHFFFAOYSA-N
MW1483.60 g/mol
LogP12.73
Rot. Bonds10

About 3-[5-acetyl-6-(6-azaspiro[2.5]octan-6-yl)-2-pyridinyl]-4,4-dimethyl-1,3-oxazolidin-2-one;3-(5-acetyl-6-fluoro-2-pyridinyl)-4,4-dimethyl-1,3-oxazolidin-2-one;6-azaspiro[2.5]octane;2-(6-azaspiro[2.5]octan-6-yl)-6-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)pyridine-3-carboxylic acid;2,6-difluoropyridine-3-carboxylic acid;1-(2,6-difluoro-3-pyridinyl)ethanone;4,4-dimethyl-1,3-oxazolidin-2-one

3-[5-acetyl-6-(6-azaspiro[2.5]octan-6-yl)-2-pyridinyl]-4,4-dimethyl-1,3-oxazolidin-2-one;3-(5-acetyl-6-fluoro-2-pyridinyl)-4,4-dimethyl-1,3-oxazolidin-2-one;6-azaspiro[2.5]octane;2-(6-azaspiro[2.5]octan-6-yl)-6-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)pyridine-3-carboxylic acid;2,6-difluoropyridine-3-carboxylic acid;1-(2,6-difluoro-3-pyridinyl)ethanone;4,4-dimethyl-1,3-oxazolidin-2-one (PubChem CID 167608405) has the molecular formula C74H91F5N12O15 and a molecular weight of 1483.60 g/mol. Its IUPAC name is 3-[5-acetyl-6-(6-azaspiro[2.5]octan-6-yl)-2-pyridinyl]-4,4-dimethyl-1,3-oxazolidin-2-one;3-(5-acetyl-6-fluoro-2-pyridinyl)-4,4-dimethyl-1,3-oxazolidin-2-one;6-azaspiro[2.5]octane;2-(6-azaspiro[2.5]octan-6-yl)-6-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)pyridine-3-carboxylic acid;2,6-difluoropyridine-3-carboxylic acid;1-(2,6-difluoro-3-pyridinyl)ethanone;4,4-dimethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[5-acetyl-6-(6-azaspiro[2.5]octan-6-yl)-2-pyridinyl]-4,4-dimethyl-1,3-oxazolidin-2-one;3-(5-acetyl-6-fluoro-2-pyridinyl)-4,4-dimethyl-1,3-oxazolidin-2-one;6-azaspiro[2.5]octane;2-(6-azaspiro[2.5]octan-6-yl)-6-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)pyridine-3-carboxylic acid;2,6-difluoropyridine-3-carboxylic acid;1-(2,6-difluoro-3-pyridinyl)ethanone;4,4-dimethyl-1,3-oxazolidin-2-one
PubChem CID167608405
Molecular FormulaC74H91F5N12O15
Molecular Weight1483.60 g/mol
Exact Mass1482.66
IUPAC Name3-[5-acetyl-6-(6-azaspiro[2.5]octan-6-yl)-2-pyridinyl]-4,4-dimethyl-1,3-oxazolidin-2-one;3-(5-acetyl-6-fluoro-2-pyridinyl)-4,4-dimethyl-1,3-oxazolidin-2-one;6-azaspiro[2.5]octane;2-(6-azaspiro[2.5]octan-6-yl)-6-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)pyridine-3-carboxylic acid;2,6-difluoropyridine-3-carboxylic acid;1-(2,6-difluoro-3-pyridinyl)ethanone;4,4-dimethyl-1,3-oxazolidin-2-one
SMILESC1CC2(CCN1)CC2.CC(=O)c1ccc(F)nc1F.CC(=O)c1ccc(N2C(=O)OCC2(C)C)nc1F.CC(=O)c1ccc(N2C(=O)OCC2(C)C)nc1N1CCC2(CC1)CC2.CC1(C)COC(=O)N1.CC1(C)COC(=O)N1c1ccc(C(=O)O)c(N2CCC3(CC2)CC3)n1.O=C(O)c1ccc(F)nc1F
InChIInChI=1S/C19H25N3O3.C18H23N3O4.C12H13FN2O3.C7H5F2NO.C7H13N.C6H3F2NO2.C5H9NO2/c1-13(23)14-4-5-15(22-17(24)25-12-18(22,2)3)20-16(14)21-10-8-19(6-7-19)9-11-21;1-17(2)11-25-16(24)21(17)13-4-3-12(15(22)23)14(19-13)20-9-7-18(5-6-18)8-10-20;1-7(16)8-4-5-9(14-10(8)13)15-11(17)18-6-12(15,2)3;1-4(11)5-2-3-6(8)10-7(5)9;1-2-7(1)3-5-8-6-4-7;7-4-2-1-3(6(10)11)5(8)9-4;1-5(2)3-8-4(7)6-5/h4-5H,6-12H2,1-3H3;3-4H,5-11H2,1-2H3,(H,22,23);4-5H,6H2,1-3H3;2-3H,1H3;8H,1-6H2;1-2H,(H,10,11);3H2,1-2H3,(H,6,7)
InChIKeyKRWKPLBIRKSWEC-UHFFFAOYSA-N
XLogP12.73
TPSA335.72 Ų
H-Bond Donors4
H-Bond Acceptors21
Rotatable Bonds10
Heavy Atoms106
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001483.60
LogP ≤ 512.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 3-[5-acetyl-6-(6-azaspiro[2.5]octan-6-yl)-2-pyridinyl]-4,4-dimethyl-1,3-oxazolidin-2-one;3-(5-acetyl-6-fluoro-2-pyridinyl)-4,4-dimethyl-1,3-oxazolidin-2-one;6-azaspiro[2.5]octane;2-(6-azaspiro[2.5]octan-6-yl)-6-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)pyridine-3-carboxylic acid;2,6-difluoropyridine-3-carboxylic acid;1-(2,6-difluoro-3-pyridinyl)ethanone;4,4-dimethyl-1,3-oxazolidin-2-one with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 3-[5-acetyl-6-(6-azaspiro[2.5]octan-6-yl)-2-pyridinyl]-4,4-dimethyl-1,3-oxazolidin-2-one;3-(5-acetyl-6-fluoro-2-pyridinyl)-4,4-dimethyl-1,3-oxazolidin-2-one;6-azaspiro[2.5]octane;2-(6-azaspiro[2.5]octan-6-yl)-6-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)pyridine-3-carboxylic acid;2,6-difluoropyridine-3-carboxylic acid;1-(2,6-difluoro-3-pyridinyl)ethanone;4,4-dimethyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[5-acetyl-6-(6-azaspiro[2.5]octan-6-yl)-2-pyridinyl]-4,4-dimethyl-1,3-oxazolidin-2-one;3-(5-acetyl-6-fluoro-2-pyridinyl)-4,4-dimethyl-1,3-oxazolidin-2-one;6-azaspiro[2.5]octane;2-(6-azaspiro[2.5]octan-6-yl)-6-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)pyridine-3-carboxylic acid;2,6-difluoropyridine-3-carboxylic acid;1-(2,6-difluoro-3-pyridinyl)ethanone;4,4-dimethyl-1,3-oxazolidin-2-one (CID 167608405) is 3-[5-acetyl-6-(6-azaspiro[2.5]octan-6-yl)-2-pyridinyl]-4,4-dimethyl-1,3-oxazolidin-2-one;3-(5-acetyl-6-fluoro-2-pyridinyl)-4,4-dimethyl-1,3-oxazolidin-2-one;6-azaspiro[2.5]octane;2-(6-azaspiro[2.5]octan-6-yl)-6-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)pyridine-3-carboxylic acid;2,6-difluoropyridine-3-carboxylic acid;1-(2,6-difluoro-3-pyridinyl)ethanone;4,4-dimethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[5-acetyl-6-(6-azaspiro[2.5]octan-6-yl)-2-pyridinyl]-4,4-dimethyl-1,3-oxazolidin-2-one;3-(5-acetyl-6-fluoro-2-pyridinyl)-4,4-dimethyl-1,3-oxazolidin-2-one;6-azaspiro[2.5]octane;2-(6-azaspiro[2.5]octan-6-yl)-6-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)pyridine-3-carboxylic acid;2,6-difluoropyridine-3-carboxylic acid;1-(2,6-difluoro-3-pyridinyl)ethanone;4,4-dimethyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[5-acetyl-6-(6-azaspiro[2.5]octan-6-yl)-2-pyridinyl]-4,4-dimethyl-1,3-oxazolidin-2-one;3-(5-acetyl-6-fluoro-2-pyridinyl)-4,4-dimethyl-1,3-oxazolidin-2-one;6-azaspiro[2.5]octane;2-(6-azaspiro[2.5]octan-6-yl)-6-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)pyridine-3-carboxylic acid;2,6-difluoropyridine-3-carboxylic acid;1-(2,6-difluoro-3-pyridinyl)ethanone;4,4-dimethyl-1,3-oxazolidin-2-one is C1CC2(CCN1)CC2.CC(=O)c1ccc(F)nc1F.CC(=O)c1ccc(N2C(=O)OCC2(C)C)nc1F.CC(=O)c1ccc(N2C(=O)OCC2(C)C)nc1N1CCC2(CC1)CC2.CC1(C)COC(=O)N1.CC1(C)COC(=O)N1c1ccc(C(=O)O)c(N2CCC3(CC2)CC3)n1.O=C(O)c1ccc(F)nc1F.
What is the InChIKey of 3-[5-acetyl-6-(6-azaspiro[2.5]octan-6-yl)-2-pyridinyl]-4,4-dimethyl-1,3-oxazolidin-2-one;3-(5-acetyl-6-fluoro-2-pyridinyl)-4,4-dimethyl-1,3-oxazolidin-2-one;6-azaspiro[2.5]octane;2-(6-azaspiro[2.5]octan-6-yl)-6-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)pyridine-3-carboxylic acid;2,6-difluoropyridine-3-carboxylic acid;1-(2,6-difluoro-3-pyridinyl)ethanone;4,4-dimethyl-1,3-oxazolidin-2-one?
The InChIKey is KRWKPLBIRKSWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3.C18H23N3O4.C12H13FN2O3.C7H5F2NO.C7H13N.C6H3F2NO2.C5H9NO2/c1-13(23)14-4-5-15(22-17(24)25-12-18(22,2)3)20-16(14)21-10-8-19(6-7-19)9-11-21;1-17(2)11-25-16(24)21(17)13-4-3-12(15(22)23)14(19-13)20-9-7-18(5-6-18)8-10-20;1-7(16)8-4-5-9(14-10(8)13)15-11(17)18-6-12(15,2)3;1-4(11)5-2-3-6(8)10-7(5)9;1-2-7(1)3-5-8-6-4-7;7-4-2-1-3(6(10)11)5(8)9-4;1-5(2)3-8-4(7)6-5/h4-5H,6-12H2,1-3H3;3-4H,5-11H2,1-2H3,(H,22,23);4-5H,6H2,1-3H3;2-3H,1H3;8H,1-6H2;1-2H,(H,10,11);3H2,1-2H3,(H,6,7).
What are the key properties of 3-[5-acetyl-6-(6-azaspiro[2.5]octan-6-yl)-2-pyridinyl]-4,4-dimethyl-1,3-oxazolidin-2-one;3-(5-acetyl-6-fluoro-2-pyridinyl)-4,4-dimethyl-1,3-oxazolidin-2-one;6-azaspiro[2.5]octane;2-(6-azaspiro[2.5]octan-6-yl)-6-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)pyridine-3-carboxylic acid;2,6-difluoropyridine-3-carboxylic acid;1-(2,6-difluoro-3-pyridinyl)ethanone;4,4-dimethyl-1,3-oxazolidin-2-one?
3-[5-acetyl-6-(6-azaspiro[2.5]octan-6-yl)-2-pyridinyl]-4,4-dimethyl-1,3-oxazolidin-2-one;3-(5-acetyl-6-fluoro-2-pyridinyl)-4,4-dimethyl-1,3-oxazolidin-2-one;6-azaspiro[2.5]octane;2-(6-azaspiro[2.5]octan-6-yl)-6-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)pyridine-3-carboxylic acid;2,6-difluoropyridine-3-carboxylic acid;1-(2,6-difluoro-3-pyridinyl)ethanone;4,4-dimethyl-1,3-oxazolidin-2-one has a molecular weight of 1483.60 g/mol, XLogP of 12.73, 10 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-acetyl-6-(6-azaspiro[2.5]octan-6-yl)-2-pyridinyl]-4,4-dimethyl-1,3-oxazolidin-2-one;3-(5-acetyl-6-fluoro-2-pyridinyl)-4,4-dimethyl-1,3-oxazolidin-2-one;6-azaspiro[2.5]octane;2-(6-azaspiro[2.5]octan-6-yl)-6-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)pyridine-3-carboxylic acid;2,6-difluoropyridine-3-carboxylic acid;1-(2,6-difluoro-3-pyridinyl)ethanone;4,4-dimethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 167608405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).