Skip to content

Sodium 2-[(4S)-4-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-4-methoxy-5-oxooxolane-2-carboxylate

C15H16N5NaO9S — CID 173367621

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACsodium 2-[(4S)-4-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-4-methoxy-5-oxooxolane-2-carboxylate
SMILESCON=C(C(=O)N[C@H]1CON(C2(C(=O)[O-])CC(OC)C(=O)O2)C1=O)c1csc(N)n1.[Na+]
InChIInChI=1S/C15H17N5O9S.Na/c1-26-8-3-15(13(24)25,29-12(8)23)20-11(22)6(4-28-20)17-10(21)9(19-27-2)7-5-30-14(16)18-7;/h5-6,8H,3-4H2,1-2H3,(H2,16,18)(H,17,21)(H,24,25);/q;+1/p-1/t6-,8?,15?;/m0./s1
InChIKeyGYPMIOXMUTUIIZ-XZMPOXJASA-M
MW465.38 g/mol
LogP-6.25
Rot. Bonds7

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

Sodium 2-[(4S)-4-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-4-methoxy-5-oxooxolane-2-carboxylate (PubChem CID 173367621) has the molecular formula C15H16N5NaO9S and a molecular weight of 465.38 g/mol. Its IUPAC name is sodium 2-[(4S)-4-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-4-methoxy-5-oxooxolane-2-carboxylate.

Molecular Properties

Compound NameSodium 2-[(4S)-4-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-4-methoxy-5-oxooxolane-2-carboxylate
PubChem CID173367621
Molecular FormulaC15H16N5NaO9S
Molecular Weight465.38 g/mol
Exact Mass465.06
IUPAC Namesodium 2-[(4S)-4-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-4-methoxy-5-oxooxolane-2-carboxylate
SMILESCON=C(C(=O)N[C@H]1CON(C2(C(=O)[O-])CC(OC)C(=O)O2)C1=O)c1csc(N)n1.[Na+]
InChIInChI=1S/C15H17N5O9S.Na/c1-26-8-3-15(13(24)25,29-12(8)23)20-11(22)6(4-28-20)17-10(21)9(19-27-2)7-5-30-14(16)18-7;/h5-6,8H,3-4H2,1-2H3,(H2,16,18)(H,17,21)(H,24,25);/q;+1/p-1/t6-,8?,15?;/m0./s1
InChIKeyGYPMIOXMUTUIIZ-XZMPOXJASA-M
XLogP-6.25
TPSA194.80 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.38
LogP ≤ 5-6.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze Sodium 2-[(4S)-4-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-4-methoxy-5-oxooxolane-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of Sodium 2-[(4S)-4-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-4-methoxy-5-oxooxolane-2-carboxylate?
The IUPAC name of Sodium 2-[(4S)-4-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-4-methoxy-5-oxooxolane-2-carboxylate (CID 173367621) is sodium 2-[(4S)-4-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-4-methoxy-5-oxooxolane-2-carboxylate.
What is the SMILES notation for Sodium 2-[(4S)-4-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-4-methoxy-5-oxooxolane-2-carboxylate?
The canonical SMILES for Sodium 2-[(4S)-4-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-4-methoxy-5-oxooxolane-2-carboxylate is CON=C(C(=O)N[C@H]1CON(C2(C(=O)[O-])CC(OC)C(=O)O2)C1=O)c1csc(N)n1.[Na+].
What is the InChIKey of Sodium 2-[(4S)-4-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-4-methoxy-5-oxooxolane-2-carboxylate?
The InChIKey is GYPMIOXMUTUIIZ-XZMPOXJASA-M. The full InChI is InChI=1S/C15H17N5O9S.Na/c1-26-8-3-15(13(24)25,29-12(8)23)20-11(22)6(4-28-20)17-10(21)9(19-27-2)7-5-30-14(16)18-7;/h5-6,8H,3-4H2,1-2H3,(H2,16,18)(H,17,21)(H,24,25);/q;+1/p-1/t6-,8?,15?;/m0./s1.
What are the key properties of Sodium 2-[(4S)-4-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-4-methoxy-5-oxooxolane-2-carboxylate?
Sodium 2-[(4S)-4-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-4-methoxy-5-oxooxolane-2-carboxylate has a molecular weight of 465.38 g/mol, XLogP of -6.25, 7 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for Sodium 2-[(4S)-4-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-4-methoxy-5-oxooxolane-2-carboxylate is sourced from PubChem (CID 173367621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.