(3,5-dimethyl-1,2-oxazol-4-yl)methyl selenocyanate

C7H8N2OSe — CID 134153821

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)methyl selenocyanate
SMILESCc1noc(C)c1C[Se]C#N
InChIInChI=1S/C7H8N2OSe/c1-5-7(3-11-4-8)6(2)10-9-5/h3H2,1-2H3
InChIKeyKSZDRECVULKQHI-UHFFFAOYSA-N
MW215.11 g/mol
LogP0.98
Rot. Bonds2

About (3,5-dimethyl-1,2-oxazol-4-yl)methyl selenocyanate

(3,5-dimethyl-1,2-oxazol-4-yl)methyl selenocyanate (PubChem CID 134153821) has the molecular formula C7H8N2OSe and a molecular weight of 215.11 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)methyl selenocyanate.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl selenocyanate
PubChem CID134153821
Molecular FormulaC7H8N2OSe
Molecular Weight215.11 g/mol
Exact Mass215.98
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl selenocyanate
SMILESCc1noc(C)c1C[Se]C#N
InChIInChI=1S/C7H8N2OSe/c1-5-7(3-11-4-8)6(2)10-9-5/h3H2,1-2H3
InChIKeyKSZDRECVULKQHI-UHFFFAOYSA-N
XLogP0.98
TPSA49.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.11
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl selenocyanate?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl selenocyanate (CID 134153821) is (3,5-dimethyl-1,2-oxazol-4-yl)methyl selenocyanate.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)methyl selenocyanate?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)methyl selenocyanate is Cc1noc(C)c1C[Se]C#N.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)methyl selenocyanate?
The InChIKey is KSZDRECVULKQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2OSe/c1-5-7(3-11-4-8)6(2)10-9-5/h3H2,1-2H3.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)methyl selenocyanate?
(3,5-dimethyl-1,2-oxazol-4-yl)methyl selenocyanate has a molecular weight of 215.11 g/mol, XLogP of 0.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)methyl selenocyanate is sourced from PubChem (CID 134153821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).