sodium 2-[4-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-4-(hydroxymethyl)-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate

C15H16N5NaO9S — CID 173385469

About sodium 2-[4-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-4-(hydroxymethyl)-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate

sodium 2-[4-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-4-(hydroxymethyl)-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate (PubChem CID 173385469) has the molecular formula C15H16N5NaO9S and a molecular weight of 465.38 g/mol. Its IUPAC name is sodium 2-[4-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-4-(hydroxymethyl)-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate.

Molecular Properties

• Compound Name: sodium 2-[4-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-4-(hydroxymethyl)-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate
• PubChem CID: 173385469
• Molecular Formula: C15H16N5NaO9S
• Molecular Weight: 465.38 g/mol
• Exact Mass: 465.06
• IUPAC Name: sodium 2-[4-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-4-(hydroxymethyl)-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate
• SMILES: CON=C(C(=O)NC1(CO)CON(C2(C(=O)[O-])CCC(=O)O2)C1=O)c1csc(N)n1.[Na+]
• InChI: InChI=1S/C15H17N5O9S.Na/c1-27-19-9(7-4-30-13(16)17-7)10(23)18-14(5-21)6-28-20(11(14)24)15(12(25)26)3-2-8(22)29-15;/h4,21H,2-3,5-6H2,1H3,(H2,16,17)(H,18,23)(H,25,26);/q;+1/p-1
• InChIKey: MWQYLDAEMYUBCI-UHFFFAOYSA-M
• XLogP: -6.52
• TPSA: 205.80 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	465.38
LogP ≤ 5	-6.52
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium 2-[4-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-4-(hydroxymethyl)-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate?

The IUPAC name of sodium 2-[4-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-4-(hydroxymethyl)-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate (CID 173385469) is sodium 2-[4-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-4-(hydroxymethyl)-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate.

What is the SMILES notation for sodium 2-[4-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-4-(hydroxymethyl)-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate?

The canonical SMILES for sodium 2-[4-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-4-(hydroxymethyl)-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate is CON=C(C(=O)NC1(CO)CON(C2(C(=O)[O-])CCC(=O)O2)C1=O)c1csc(N)n1.[Na+].

What is the InChIKey of sodium 2-[4-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-4-(hydroxymethyl)-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate?

The InChIKey is MWQYLDAEMYUBCI-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H17N5O9S.Na/c1-27-19-9(7-4-30-13(16)17-7)10(23)18-14(5-21)6-28-20(11(14)24)15(12(25)26)3-2-8(22)29-15;/h4,21H,2-3,5-6H2,1H3,(H2,16,17)(H,18,23)(H,25,26);/q;+1/p-1.

What are the key properties of sodium 2-[4-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-4-(hydroxymethyl)-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate?

sodium 2-[4-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-4-(hydroxymethyl)-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate has a molecular weight of 465.38 g/mol, XLogP of -6.52, 7 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for sodium 2-[4-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-4-(hydroxymethyl)-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate is sourced from PubChem (CID 173385469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).