1,2-oxazole;selane

C3H5NOSe — CID 175571202

IUPAC1,2-oxazole;selane
SMILES[SeH2].c1cnoc1
InChIInChI=1S/C3H3NO.H2Se/c1-2-4-5-3-1;/h1-3H;1H2
InChIKeyXZBYTRCEIRHZHZ-UHFFFAOYSA-N
MW150.04 g/mol
LogP-0.24
Rot. Bonds

About 1,2-oxazole;selane

1,2-oxazole;selane (PubChem CID 175571202) has the molecular formula C3H5NOSe and a molecular weight of 150.04 g/mol. Its IUPAC name is 1,2-oxazole;selane.

Molecular Properties

Compound Name1,2-oxazole;selane
PubChem CID175571202
Molecular FormulaC3H5NOSe
Molecular Weight150.04 g/mol
Exact Mass150.95
IUPAC Name1,2-oxazole;selane
SMILES[SeH2].c1cnoc1
InChIInChI=1S/C3H3NO.H2Se/c1-2-4-5-3-1;/h1-3H;1H2
InChIKeyXZBYTRCEIRHZHZ-UHFFFAOYSA-N
XLogP-0.24
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.04
LogP ≤ 5-0.24
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 1,2-oxazole;selane?
The IUPAC name of 1,2-oxazole;selane (CID 175571202) is 1,2-oxazole;selane.
What is the SMILES notation for 1,2-oxazole;selane?
The canonical SMILES for 1,2-oxazole;selane is [SeH2].c1cnoc1.
What is the InChIKey of 1,2-oxazole;selane?
The InChIKey is XZBYTRCEIRHZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3NO.H2Se/c1-2-4-5-3-1;/h1-3H;1H2.
What are the key properties of 1,2-oxazole;selane?
1,2-oxazole;selane has a molecular weight of 150.04 g/mol, XLogP of -0.24, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-oxazole;selane is sourced from PubChem (CID 175571202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).