Enterocura

C₁₂H₁₅N₅O₃S — CID 5464101

About Enterocura

Enterocura (PubChem CID 5464101) has the molecular formula C₁₂H₁₅N₅O₃S and a molecular weight of 309.35 g/mol. Its IUPAC name is 2-(4-aminophenyl)sulfonyl-1-(4,5-dimethyl-1,3-oxazol-2-yl)guanidine.

Molecular Properties

• Compound Name: Enterocura
• PubChem CID: 5464101
• Molecular Formula: C₁₂H₁₅N₅O₃S
• Molecular Weight: 309.35 g/mol
• Exact Mass: 309.09
• IUPAC Name: 2-(4-aminophenyl)sulfonyl-1-(4,5-dimethyl-1,3-oxazol-2-yl)guanidine
• SMILES: Cc1nc(N/C(N)=N\S(=O)(=O)c2ccc(N)cc2)oc1C
• InChI: InChI=1S/C12H15N5O3S/c1-7-8(2)20-12(15-7)16-11(14)17-21(18,19)10-5-3-9(13)4-6-10/h3-6H,13H2,1-2H3,(H3,14,15,16,17)
• InChIKey: IJZUQDQOAFUFJY-UHFFFAOYSA-N
• XLogP: 0.99
• TPSA: 136.60 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	309.35
LogP ≤ 5	0.99
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Enterocura?

The IUPAC name of Enterocura (CID 5464101) is 2-(4-aminophenyl)sulfonyl-1-(4,5-dimethyl-1,3-oxazol-2-yl)guanidine.

What is the SMILES notation for Enterocura?

The canonical SMILES for Enterocura is Cc1nc(N/C(N)=N\S(=O)(=O)c2ccc(N)cc2)oc1C.

What is the InChIKey of Enterocura?

The InChIKey is IJZUQDQOAFUFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3S/c1-7-8(2)20-12(15-7)16-11(14)17-21(18,19)10-5-3-9(13)4-6-10/h3-6H,13H2,1-2H3,(H3,14,15,16,17).

What are the key properties of Enterocura?

Enterocura has a molecular weight of 309.35 g/mol, XLogP of 0.99, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for Enterocura is sourced from PubChem (CID 5464101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 5464101 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 2506 — approved-drug record (CC BY-SA 4.0)

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