Selanyl oxazoline

C3H4NOSe — CID 18429030

IUPAC—
SMILES[Se]C1=NCCO1
InChIInChI=1S/C3H4NOSe/c6-3-4-1-2-5-3/h1-2H2
InChIKeyGPEZVISGMMHRBC-UHFFFAOYSA-N
MW149.03 g/mol
LogP-0.46
Rot. Bonds

About Selanyl oxazoline

Selanyl oxazoline (PubChem CID 18429030) has the molecular formula C3H4NOSe and a molecular weight of 149.03 g/mol.

Molecular Properties

Compound NameSelanyl oxazoline
PubChem CID18429030
Molecular FormulaC3H4NOSe
Molecular Weight149.03 g/mol
Exact Mass149.95
IUPAC Name—
SMILES[Se]C1=NCCO1
InChIInChI=1S/C3H4NOSe/c6-3-4-1-2-5-3/h1-2H2
InChIKeyGPEZVISGMMHRBC-UHFFFAOYSA-N
XLogP-0.46
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.03
LogP ≤ 5-0.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 Selanyl oxazoline?
The IUPAC name of Selanyl oxazoline (CID 18429030) is not available.
What is the SMILES notation for Selanyl oxazoline?
The canonical SMILES for Selanyl oxazoline is [Se]C1=NCCO1.
What is the InChIKey of Selanyl oxazoline?
The InChIKey is GPEZVISGMMHRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4NOSe/c6-3-4-1-2-5-3/h1-2H2.
What are the key properties of Selanyl oxazoline?
Selanyl oxazoline has a molecular weight of 149.03 g/mol, XLogP of -0.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Selanyl oxazoline is sourced from PubChem (CID 18429030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).