benzyl N,N'-bis(1,2-oxazole-5-carbonyl)carbamimidoselenoate

C16H12N4O4Se — CID 51033232

IUPACbenzyl N,N'-bis(1,2-oxazole-5-carbonyl)carbamimidoselenoate
SMILESO=C(/N=C(\NC(=O)c1ccno1)[Se]Cc1ccccc1)c1ccno1
InChIInChI=1S/C16H12N4O4Se/c21-14(12-6-8-17-23-12)19-16(20-15(22)13-7-9-18-24-13)25-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,19,20,21,22)
InChIKeyZVEFTHHEEXAAEE-UHFFFAOYSA-N
MW403.26 g/mol
LogP1.49
Rot. Bonds5

About benzyl N,N'-bis(1,2-oxazole-5-carbonyl)carbamimidoselenoate

benzyl N,N'-bis(1,2-oxazole-5-carbonyl)carbamimidoselenoate (PubChem CID 51033232) has the molecular formula C16H12N4O4Se and a molecular weight of 403.26 g/mol. Its IUPAC name is benzyl N,N'-bis(1,2-oxazole-5-carbonyl)carbamimidoselenoate.

Molecular Properties

Compound Namebenzyl N,N'-bis(1,2-oxazole-5-carbonyl)carbamimidoselenoate
PubChem CID51033232
Molecular FormulaC16H12N4O4Se
Molecular Weight403.26 g/mol
Exact Mass404.00
IUPAC Namebenzyl N,N'-bis(1,2-oxazole-5-carbonyl)carbamimidoselenoate
SMILESO=C(/N=C(\NC(=O)c1ccno1)[Se]Cc1ccccc1)c1ccno1
InChIInChI=1S/C16H12N4O4Se/c21-14(12-6-8-17-23-12)19-16(20-15(22)13-7-9-18-24-13)25-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,19,20,21,22)
InChIKeyZVEFTHHEEXAAEE-UHFFFAOYSA-N
XLogP1.49
TPSA110.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.26
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzyl N,N'-bis(1,2-oxazole-5-carbonyl)carbamimidoselenoate?
The IUPAC name of benzyl N,N'-bis(1,2-oxazole-5-carbonyl)carbamimidoselenoate (CID 51033232) is benzyl N,N'-bis(1,2-oxazole-5-carbonyl)carbamimidoselenoate.
What is the SMILES notation for benzyl N,N'-bis(1,2-oxazole-5-carbonyl)carbamimidoselenoate?
The canonical SMILES for benzyl N,N'-bis(1,2-oxazole-5-carbonyl)carbamimidoselenoate is O=C(/N=C(\NC(=O)c1ccno1)[Se]Cc1ccccc1)c1ccno1.
What is the InChIKey of benzyl N,N'-bis(1,2-oxazole-5-carbonyl)carbamimidoselenoate?
The InChIKey is ZVEFTHHEEXAAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O4Se/c21-14(12-6-8-17-23-12)19-16(20-15(22)13-7-9-18-24-13)25-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,19,20,21,22).
What are the key properties of benzyl N,N'-bis(1,2-oxazole-5-carbonyl)carbamimidoselenoate?
benzyl N,N'-bis(1,2-oxazole-5-carbonyl)carbamimidoselenoate has a molecular weight of 403.26 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N,N'-bis(1,2-oxazole-5-carbonyl)carbamimidoselenoate is sourced from PubChem (CID 51033232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).