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

C16H17N6NaO10S — CID 173385403

About sodium 2-[4-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-4-(carbamoyloxymethyl)-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-(carbamoyloxymethyl)-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate (PubChem CID 173385403) has the molecular formula C16H17N6NaO10S and a molecular weight of 508.40 g/mol. Its IUPAC name is sodium 2-[4-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-4-(carbamoyloxymethyl)-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-(carbamoyloxymethyl)-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate
• PubChem CID: 173385403
• Molecular Formula: C16H17N6NaO10S
• Molecular Weight: 508.40 g/mol
• Exact Mass: 508.06
• IUPAC Name: sodium 2-[4-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-4-(carbamoyloxymethyl)-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate
• SMILES: CON=C(C(=O)NC1(COC(N)=O)CON(C2(C(=O)[O-])CCC(=O)O2)C1=O)c1csc(N)n1.[Na+]
• InChI: InChI=1S/C16H18N6O10S.Na/c1-29-21-9(7-4-33-13(17)19-7)10(24)20-15(5-30-14(18)28)6-31-22(11(15)25)16(12(26)27)3-2-8(23)32-16;/h4H,2-3,5-6H2,1H3,(H2,17,19)(H2,18,28)(H,20,24)(H,26,27);/q;+1/p-1
• InChIKey: BKMSIKMFHKAVOX-UHFFFAOYSA-M
• XLogP: -6.41
• TPSA: 237.89 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	508.40
LogP ≤ 5	-6.41
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

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-(carbamoyloxymethyl)-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-(carbamoyloxymethyl)-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate (CID 173385403) is sodium 2-[4-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-4-(carbamoyloxymethyl)-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-(carbamoyloxymethyl)-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-(carbamoyloxymethyl)-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate is CON=C(C(=O)NC1(COC(N)=O)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-(carbamoyloxymethyl)-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate?

The InChIKey is BKMSIKMFHKAVOX-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H18N6O10S.Na/c1-29-21-9(7-4-33-13(17)19-7)10(24)20-15(5-30-14(18)28)6-31-22(11(15)25)16(12(26)27)3-2-8(23)32-16;/h4H,2-3,5-6H2,1H3,(H2,17,19)(H2,18,28)(H,20,24)(H,26,27);/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-(carbamoyloxymethyl)-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-(carbamoyloxymethyl)-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate has a molecular weight of 508.40 g/mol, XLogP of -6.41, 8 rotatable bonds, 3 hydrogen bond donors, and 14 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-(carbamoyloxymethyl)-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate is sourced from PubChem (CID 173385403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).