lithium;1-[2-(2-fluoro-4-pyridinyl)-1,3-oxazol-4-yl]ethanone;2-[2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-4-pyridinyl]-1,3-oxazole-4-carboxylic acid;1-[2-[2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-4-pyridinyl]-1,3-oxazol-4-yl]ethanone;trans-(1S,2S)-2-methylcyclohexan-1-amine;hydroxide;hydrate

C48H61FLiN9O11 — CID 167633524

About lithium;1-[2-(2-fluoro-4-pyridinyl)-1,3-oxazol-4-yl]ethanone;2-[2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-4-pyridinyl]-1,3-oxazole-4-carboxylic acid;1-[2-[2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-4-pyridinyl]-1,3-oxazol-4-yl]ethanone;trans-(1S,2S)-2-methylcyclohexan-1-amine;hydroxide;hydrate

lithium;1-[2-(2-fluoro-4-pyridinyl)-1,3-oxazol-4-yl]ethanone;2-[2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-4-pyridinyl]-1,3-oxazole-4-carboxylic acid;1-[2-[2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-4-pyridinyl]-1,3-oxazol-4-yl]ethanone;trans-(1S,2S)-2-methylcyclohexan-1-amine;hydroxide;hydrate (PubChem CID 167633524) has the molecular formula C48H61FLiN9O11 and a molecular weight of 966.01 g/mol. Its IUPAC name is lithium;1-[2-(2-fluoro-4-pyridinyl)-1,3-oxazol-4-yl]ethanone;2-[2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-4-pyridinyl]-1,3-oxazole-4-carboxylic acid;1-[2-[2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-4-pyridinyl]-1,3-oxazol-4-yl]ethanone;trans-(1S,2S)-2-methylcyclohexan-1-amine;hydroxide;hydrate.

Molecular Properties

• Compound Name: lithium;1-[2-(2-fluoro-4-pyridinyl)-1,3-oxazol-4-yl]ethanone;2-[2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-4-pyridinyl]-1,3-oxazole-4-carboxylic acid;1-[2-[2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-4-pyridinyl]-1,3-oxazol-4-yl]ethanone;trans-(1S,2S)-2-methylcyclohexan-1-amine;hydroxide;hydrate
• PubChem CID: 167633524
• Molecular Formula: C48H61FLiN9O11
• Molecular Weight: 966.01 g/mol
• Exact Mass: 965.46
• IUPAC Name: lithium;1-[2-(2-fluoro-4-pyridinyl)-1,3-oxazol-4-yl]ethanone;2-[2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-4-pyridinyl]-1,3-oxazole-4-carboxylic acid;1-[2-[2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-4-pyridinyl]-1,3-oxazol-4-yl]ethanone;trans-(1S,2S)-2-methylcyclohexan-1-amine;hydroxide;hydrate
• SMILES: CC(=O)c1coc(-c2ccnc(F)c2)n1.CC(=O)c1coc(-c2ccnc(N[C@H]3CCCC[C@@H]3O)c2)n1.C[C@H]1CCCC[C@@H]1N.O.O=C(O)c1coc(-c2ccnc(N[C@H]3CCCC[C@@H]3O)c2)n1.[Li+].[OH-]
• InChI: InChI=1S/C16H19N3O3.C15H17N3O4.C10H7FN2O2.C7H15N.Li.2H2O/c1-10(20)13-9-22-16(19-13)11-6-7-17-15(8-11)18-12-4-2-3-5-14(12)21;19-12-4-2-1-3-10(12)17-13-7-9(5-6-16-13)14-18-11(8-22-14)15(20)21;1-6(14)8-5-15-10(13-8)7-2-3-12-9(11)4-7;1-6-4-2-3-5-7(6)8;;;/h6-9,12,14,21H,2-5H2,1H3,(H,17,18);5-8,10,12,19H,1-4H2,(H,16,17)(H,20,21);2-5H,1H3;6-7H,2-5,8H2,1H3;;2*1H2/q;;;;+1;;/p-1/t12-,14-;10-,12-;;6-,7-;;;/m00.0.../s1
• InChIKey: KGJTZTJWWPHELL-AQAZXHFGSA-M
• XLogP: 4.41
• TPSA: 340.24 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 18
• Rotatable Bonds: 10
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	966.01
LogP ≤ 5	4.41
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of lithium;1-[2-(2-fluoro-4-pyridinyl)-1,3-oxazol-4-yl]ethanone;2-[2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-4-pyridinyl]-1,3-oxazole-4-carboxylic acid;1-[2-[2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-4-pyridinyl]-1,3-oxazol-4-yl]ethanone;trans-(1S,2S)-2-methylcyclohexan-1-amine;hydroxide;hydrate?

The IUPAC name of lithium;1-[2-(2-fluoro-4-pyridinyl)-1,3-oxazol-4-yl]ethanone;2-[2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-4-pyridinyl]-1,3-oxazole-4-carboxylic acid;1-[2-[2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-4-pyridinyl]-1,3-oxazol-4-yl]ethanone;trans-(1S,2S)-2-methylcyclohexan-1-amine;hydroxide;hydrate (CID 167633524) is lithium;1-[2-(2-fluoro-4-pyridinyl)-1,3-oxazol-4-yl]ethanone;2-[2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-4-pyridinyl]-1,3-oxazole-4-carboxylic acid;1-[2-[2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-4-pyridinyl]-1,3-oxazol-4-yl]ethanone;trans-(1S,2S)-2-methylcyclohexan-1-amine;hydroxide;hydrate.

What is the SMILES notation for lithium;1-[2-(2-fluoro-4-pyridinyl)-1,3-oxazol-4-yl]ethanone;2-[2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-4-pyridinyl]-1,3-oxazole-4-carboxylic acid;1-[2-[2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-4-pyridinyl]-1,3-oxazol-4-yl]ethanone;trans-(1S,2S)-2-methylcyclohexan-1-amine;hydroxide;hydrate?

The canonical SMILES for lithium;1-[2-(2-fluoro-4-pyridinyl)-1,3-oxazol-4-yl]ethanone;2-[2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-4-pyridinyl]-1,3-oxazole-4-carboxylic acid;1-[2-[2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-4-pyridinyl]-1,3-oxazol-4-yl]ethanone;trans-(1S,2S)-2-methylcyclohexan-1-amine;hydroxide;hydrate is CC(=O)c1coc(-c2ccnc(F)c2)n1.CC(=O)c1coc(-c2ccnc(N[C@H]3CCCC[C@@H]3O)c2)n1.C[C@H]1CCCC[C@@H]1N.O.O=C(O)c1coc(-c2ccnc(N[C@H]3CCCC[C@@H]3O)c2)n1.[Li+].[OH-].

What is the InChIKey of lithium;1-[2-(2-fluoro-4-pyridinyl)-1,3-oxazol-4-yl]ethanone;2-[2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-4-pyridinyl]-1,3-oxazole-4-carboxylic acid;1-[2-[2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-4-pyridinyl]-1,3-oxazol-4-yl]ethanone;trans-(1S,2S)-2-methylcyclohexan-1-amine;hydroxide;hydrate?

The InChIKey is KGJTZTJWWPHELL-AQAZXHFGSA-M. The full InChI is InChI=1S/C16H19N3O3.C15H17N3O4.C10H7FN2O2.C7H15N.Li.2H2O/c1-10(20)13-9-22-16(19-13)11-6-7-17-15(8-11)18-12-4-2-3-5-14(12)21;19-12-4-2-1-3-10(12)17-13-7-9(5-6-16-13)14-18-11(8-22-14)15(20)21;1-6(14)8-5-15-10(13-8)7-2-3-12-9(11)4-7;1-6-4-2-3-5-7(6)8;;;/h6-9,12,14,21H,2-5H2,1H3,(H,17,18);5-8,10,12,19H,1-4H2,(H,16,17)(H,20,21);2-5H,1H3;6-7H,2-5,8H2,1H3;;2*1H2/q;;;;+1;;/p-1/t12-,14-;10-,12-;;6-,7-;;;/m00.0.../s1.

What are the key properties of lithium;1-[2-(2-fluoro-4-pyridinyl)-1,3-oxazol-4-yl]ethanone;2-[2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-4-pyridinyl]-1,3-oxazole-4-carboxylic acid;1-[2-[2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-4-pyridinyl]-1,3-oxazol-4-yl]ethanone;trans-(1S,2S)-2-methylcyclohexan-1-amine;hydroxide;hydrate?

lithium;1-[2-(2-fluoro-4-pyridinyl)-1,3-oxazol-4-yl]ethanone;2-[2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-4-pyridinyl]-1,3-oxazole-4-carboxylic acid;1-[2-[2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-4-pyridinyl]-1,3-oxazol-4-yl]ethanone;trans-(1S,2S)-2-methylcyclohexan-1-amine;hydroxide;hydrate has a molecular weight of 966.01 g/mol, XLogP of 4.41, 10 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;1-[2-(2-fluoro-4-pyridinyl)-1,3-oxazol-4-yl]ethanone;2-[2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-4-pyridinyl]-1,3-oxazole-4-carboxylic acid;1-[2-[2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-4-pyridinyl]-1,3-oxazol-4-yl]ethanone;trans-(1S,2S)-2-methylcyclohexan-1-amine;hydroxide;hydrate is sourced from PubChem (CID 167633524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).