lithium;3-[(1R)-1-(1-benzofuran-2-carbonylamino)ethyl]-N-hydroxy-1,2-oxazole-5-carboxamide;3-[(1R)-1-(1-benzofuran-2-carbonylamino)ethyl]-1,2-oxazole-5-carboxylic acid;1-benzofuran-2-carboxylic acid;ethyl 3-[(1R)-1-aminoethyl]-1,2-oxazole-5-carboxylate;ethyl 3-[(1R)-1-(1-benzofuran-2-carbonylamino)ethyl]-1,2-oxazole-5-carboxylate;methanol;hydroxide;hydrochloride

C65H65ClLiN9O23 — CID 158984813

About lithium;3-[(1R)-1-(1-benzofuran-2-carbonylamino)ethyl]-N-hydroxy-1,2-oxazole-5-carboxamide;3-[(1R)-1-(1-benzofuran-2-carbonylamino)ethyl]-1,2-oxazole-5-carboxylic acid;1-benzofuran-2-carboxylic acid;ethyl 3-[(1R)-1-aminoethyl]-1,2-oxazole-5-carboxylate;ethyl 3-[(1R)-1-(1-benzofuran-2-carbonylamino)ethyl]-1,2-oxazole-5-carboxylate;methanol;hydroxide;hydrochloride

lithium;3-[(1R)-1-(1-benzofuran-2-carbonylamino)ethyl]-N-hydroxy-1,2-oxazole-5-carboxamide;3-[(1R)-1-(1-benzofuran-2-carbonylamino)ethyl]-1,2-oxazole-5-carboxylic acid;1-benzofuran-2-carboxylic acid;ethyl 3-[(1R)-1-aminoethyl]-1,2-oxazole-5-carboxylate;ethyl 3-[(1R)-1-(1-benzofuran-2-carbonylamino)ethyl]-1,2-oxazole-5-carboxylate;methanol;hydroxide;hydrochloride (PubChem CID 158984813) has the molecular formula C65H65ClLiN9O23 and a molecular weight of 1382.67 g/mol. Its IUPAC name is lithium;3-[(1R)-1-(1-benzofuran-2-carbonylamino)ethyl]-N-hydroxy-1,2-oxazole-5-carboxamide;3-[(1R)-1-(1-benzofuran-2-carbonylamino)ethyl]-1,2-oxazole-5-carboxylic acid;1-benzofuran-2-carboxylic acid;ethyl 3-[(1R)-1-aminoethyl]-1,2-oxazole-5-carboxylate;ethyl 3-[(1R)-1-(1-benzofuran-2-carbonylamino)ethyl]-1,2-oxazole-5-carboxylate;methanol;hydroxide;hydrochloride.

Molecular Properties

• Compound Name: lithium;3-[(1R)-1-(1-benzofuran-2-carbonylamino)ethyl]-N-hydroxy-1,2-oxazole-5-carboxamide;3-[(1R)-1-(1-benzofuran-2-carbonylamino)ethyl]-1,2-oxazole-5-carboxylic acid;1-benzofuran-2-carboxylic acid;ethyl 3-[(1R)-1-aminoethyl]-1,2-oxazole-5-carboxylate;ethyl 3-[(1R)-1-(1-benzofuran-2-carbonylamino)ethyl]-1,2-oxazole-5-carboxylate;methanol;hydroxide;hydrochloride
• PubChem CID: 158984813
• Molecular Formula: C65H65ClLiN9O23
• Molecular Weight: 1382.67 g/mol
• Exact Mass: 1381.40
• IUPAC Name: lithium;3-[(1R)-1-(1-benzofuran-2-carbonylamino)ethyl]-N-hydroxy-1,2-oxazole-5-carboxamide;3-[(1R)-1-(1-benzofuran-2-carbonylamino)ethyl]-1,2-oxazole-5-carboxylic acid;1-benzofuran-2-carboxylic acid;ethyl 3-[(1R)-1-aminoethyl]-1,2-oxazole-5-carboxylate;ethyl 3-[(1R)-1-(1-benzofuran-2-carbonylamino)ethyl]-1,2-oxazole-5-carboxylate;methanol;hydroxide;hydrochloride
• SMILES: CCOC(=O)c1cc([C@@H](C)N)no1.CCOC(=O)c1cc([C@@H](C)NC(=O)c2cc3ccccc3o2)no1.CO.C[C@@H](NC(=O)c1cc2ccccc2o1)c1cc(C(=O)NO)on1.C[C@@H](NC(=O)c1cc2ccccc2o1)c1cc(C(=O)O)on1.Cl.O=C(O)c1cc2ccccc2o1.[Li+].[OH-]
• InChI: InChI=1S/C17H16N2O5.C15H13N3O5.C15H12N2O5.C9H6O3.C8H12N2O3.CH4O.ClH.Li.H2O/c1-3-22-17(21)15-9-12(19-24-15)10(2)18-16(20)14-8-11-6-4-5-7-13(11)23-14;1-8(10-7-13(23-18-10)15(20)17-21)16-14(19)12-6-9-4-2-3-5-11(9)22-12;1-8(10-7-13(15(19)20)22-17-10)16-14(18)12-6-9-4-2-3-5-11(9)21-12;10-9(11)8-5-6-3-1-2-4-7(6)12-8;1-3-12-8(11)7-4-6(5(2)9)10-13-7;1-2;;;/h4-10H,3H2,1-2H3,(H,18,20);2-8,21H,1H3,(H,16,19)(H,17,20);2-8H,1H3,(H,16,18)(H,19,20);1-5H,(H,10,11);4-5H,3,9H2,1-2H3;2H,1H3;1H;;1H2/q;;;;;;;+1;/p-1/t10-;2*8-;;5-;;;;/m111.1..../s1
• InChIKey: AJGBFQDAHDSUHL-DSWRBKOFSA-M
• XLogP: 7.59
• TPSA: 496.76 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 26
• Rotatable Bonds: 17
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1382.67
LogP ≤ 5	7.59
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;3-[(1R)-1-(1-benzofuran-2-carbonylamino)ethyl]-N-hydroxy-1,2-oxazole-5-carboxamide;3-[(1R)-1-(1-benzofuran-2-carbonylamino)ethyl]-1,2-oxazole-5-carboxylic acid;1-benzofuran-2-carboxylic acid;ethyl 3-[(1R)-1-aminoethyl]-1,2-oxazole-5-carboxylate;ethyl 3-[(1R)-1-(1-benzofuran-2-carbonylamino)ethyl]-1,2-oxazole-5-carboxylate;methanol;hydroxide;hydrochloride?

The IUPAC name of lithium;3-[(1R)-1-(1-benzofuran-2-carbonylamino)ethyl]-N-hydroxy-1,2-oxazole-5-carboxamide;3-[(1R)-1-(1-benzofuran-2-carbonylamino)ethyl]-1,2-oxazole-5-carboxylic acid;1-benzofuran-2-carboxylic acid;ethyl 3-[(1R)-1-aminoethyl]-1,2-oxazole-5-carboxylate;ethyl 3-[(1R)-1-(1-benzofuran-2-carbonylamino)ethyl]-1,2-oxazole-5-carboxylate;methanol;hydroxide;hydrochloride (CID 158984813) is lithium;3-[(1R)-1-(1-benzofuran-2-carbonylamino)ethyl]-N-hydroxy-1,2-oxazole-5-carboxamide;3-[(1R)-1-(1-benzofuran-2-carbonylamino)ethyl]-1,2-oxazole-5-carboxylic acid;1-benzofuran-2-carboxylic acid;ethyl 3-[(1R)-1-aminoethyl]-1,2-oxazole-5-carboxylate;ethyl 3-[(1R)-1-(1-benzofuran-2-carbonylamino)ethyl]-1,2-oxazole-5-carboxylate;methanol;hydroxide;hydrochloride.

What is the SMILES notation for lithium;3-[(1R)-1-(1-benzofuran-2-carbonylamino)ethyl]-N-hydroxy-1,2-oxazole-5-carboxamide;3-[(1R)-1-(1-benzofuran-2-carbonylamino)ethyl]-1,2-oxazole-5-carboxylic acid;1-benzofuran-2-carboxylic acid;ethyl 3-[(1R)-1-aminoethyl]-1,2-oxazole-5-carboxylate;ethyl 3-[(1R)-1-(1-benzofuran-2-carbonylamino)ethyl]-1,2-oxazole-5-carboxylate;methanol;hydroxide;hydrochloride?

The canonical SMILES for lithium;3-[(1R)-1-(1-benzofuran-2-carbonylamino)ethyl]-N-hydroxy-1,2-oxazole-5-carboxamide;3-[(1R)-1-(1-benzofuran-2-carbonylamino)ethyl]-1,2-oxazole-5-carboxylic acid;1-benzofuran-2-carboxylic acid;ethyl 3-[(1R)-1-aminoethyl]-1,2-oxazole-5-carboxylate;ethyl 3-[(1R)-1-(1-benzofuran-2-carbonylamino)ethyl]-1,2-oxazole-5-carboxylate;methanol;hydroxide;hydrochloride is CCOC(=O)c1cc([C@@H](C)N)no1.CCOC(=O)c1cc([C@@H](C)NC(=O)c2cc3ccccc3o2)no1.CO.C[C@@H](NC(=O)c1cc2ccccc2o1)c1cc(C(=O)NO)on1.C[C@@H](NC(=O)c1cc2ccccc2o1)c1cc(C(=O)O)on1.Cl.O=C(O)c1cc2ccccc2o1.[Li+].[OH-].

What is the InChIKey of lithium;3-[(1R)-1-(1-benzofuran-2-carbonylamino)ethyl]-N-hydroxy-1,2-oxazole-5-carboxamide;3-[(1R)-1-(1-benzofuran-2-carbonylamino)ethyl]-1,2-oxazole-5-carboxylic acid;1-benzofuran-2-carboxylic acid;ethyl 3-[(1R)-1-aminoethyl]-1,2-oxazole-5-carboxylate;ethyl 3-[(1R)-1-(1-benzofuran-2-carbonylamino)ethyl]-1,2-oxazole-5-carboxylate;methanol;hydroxide;hydrochloride?

The InChIKey is AJGBFQDAHDSUHL-DSWRBKOFSA-M. The full InChI is InChI=1S/C17H16N2O5.C15H13N3O5.C15H12N2O5.C9H6O3.C8H12N2O3.CH4O.ClH.Li.H2O/c1-3-22-17(21)15-9-12(19-24-15)10(2)18-16(20)14-8-11-6-4-5-7-13(11)23-14;1-8(10-7-13(23-18-10)15(20)17-21)16-14(19)12-6-9-4-2-3-5-11(9)22-12;1-8(10-7-13(15(19)20)22-17-10)16-14(18)12-6-9-4-2-3-5-11(9)21-12;10-9(11)8-5-6-3-1-2-4-7(6)12-8;1-3-12-8(11)7-4-6(5(2)9)10-13-7;1-2;;;/h4-10H,3H2,1-2H3,(H,18,20);2-8,21H,1H3,(H,16,19)(H,17,20);2-8H,1H3,(H,16,18)(H,19,20);1-5H,(H,10,11);4-5H,3,9H2,1-2H3;2H,1H3;1H;;1H2/q;;;;;;;+1;/p-1/t10-;2*8-;;5-;;;;/m111.1..../s1.

What are the key properties of lithium;3-[(1R)-1-(1-benzofuran-2-carbonylamino)ethyl]-N-hydroxy-1,2-oxazole-5-carboxamide;3-[(1R)-1-(1-benzofuran-2-carbonylamino)ethyl]-1,2-oxazole-5-carboxylic acid;1-benzofuran-2-carboxylic acid;ethyl 3-[(1R)-1-aminoethyl]-1,2-oxazole-5-carboxylate;ethyl 3-[(1R)-1-(1-benzofuran-2-carbonylamino)ethyl]-1,2-oxazole-5-carboxylate;methanol;hydroxide;hydrochloride?

lithium;3-[(1R)-1-(1-benzofuran-2-carbonylamino)ethyl]-N-hydroxy-1,2-oxazole-5-carboxamide;3-[(1R)-1-(1-benzofuran-2-carbonylamino)ethyl]-1,2-oxazole-5-carboxylic acid;1-benzofuran-2-carboxylic acid;ethyl 3-[(1R)-1-aminoethyl]-1,2-oxazole-5-carboxylate;ethyl 3-[(1R)-1-(1-benzofuran-2-carbonylamino)ethyl]-1,2-oxazole-5-carboxylate;methanol;hydroxide;hydrochloride has a molecular weight of 1382.67 g/mol, XLogP of 7.59, 17 rotatable bonds, 9 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;3-[(1R)-1-(1-benzofuran-2-carbonylamino)ethyl]-N-hydroxy-1,2-oxazole-5-carboxamide;3-[(1R)-1-(1-benzofuran-2-carbonylamino)ethyl]-1,2-oxazole-5-carboxylic acid;1-benzofuran-2-carboxylic acid;ethyl 3-[(1R)-1-aminoethyl]-1,2-oxazole-5-carboxylate;ethyl 3-[(1R)-1-(1-benzofuran-2-carbonylamino)ethyl]-1,2-oxazole-5-carboxylate;methanol;hydroxide;hydrochloride is sourced from PubChem (CID 158984813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).