2-[4-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid

C14H15N5O8S — CID 173385444

About 2-[4-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid

2-[4-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid (PubChem CID 173385444) has the molecular formula C14H15N5O8S and a molecular weight of 413.37 g/mol. Its IUPAC name is 2-[4-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid.

Molecular Properties

• Compound Name: 2-[4-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid
• PubChem CID: 173385444
• Molecular Formula: C14H15N5O8S
• Molecular Weight: 413.37 g/mol
• Exact Mass: 413.06
• IUPAC Name: 2-[4-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid
• SMILES: CON=C(C(=O)NC1CON(C2(C(=O)O)CCC(=O)O2)C1=O)c1csc(N)n1
• InChI: InChI=1S/C14H15N5O8S/c1-25-18-9(7-5-28-13(15)17-7)10(21)16-6-4-26-19(11(6)22)14(12(23)24)3-2-8(20)27-14/h5-6H,2-4H2,1H3,(H2,15,17)(H,16,21)(H,23,24)
• InChIKey: UMDZGNDRSHBNMY-UHFFFAOYSA-N
• XLogP: -1.55
• TPSA: 182.74 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	413.37
LogP ≤ 5	-1.55
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

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 2-[4-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid?

The IUPAC name of 2-[4-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid (CID 173385444) is 2-[4-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid.

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

The canonical SMILES for 2-[4-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid is CON=C(C(=O)NC1CON(C2(C(=O)O)CCC(=O)O2)C1=O)c1csc(N)n1.

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

The InChIKey is UMDZGNDRSHBNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O8S/c1-25-18-9(7-5-28-13(15)17-7)10(21)16-6-4-26-19(11(6)22)14(12(23)24)3-2-8(20)27-14/h5-6H,2-4H2,1H3,(H2,15,17)(H,16,21)(H,23,24).

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

2-[4-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid has a molecular weight of 413.37 g/mol, XLogP of -1.55, 6 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid is sourced from PubChem (CID 173385444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).