1,3-oxazol-5-ylphosphane

C3H4NOP — CID 143976515

IUPAC1,3-oxazol-5-ylphosphane
SMILESPc1cnco1
InChIInChI=1S/C3H4NOP/c6-3-1-4-2-5-3/h1-2H,6H2
InChIKeyBUERCWWVIPSDSL-UHFFFAOYSA-N
MW101.04 g/mol
LogP0.17
Rot. Bonds

About 1,3-oxazol-5-ylphosphane

1,3-oxazol-5-ylphosphane (PubChem CID 143976515) has the molecular formula C3H4NOP and a molecular weight of 101.04 g/mol. Its IUPAC name is 1,3-oxazol-5-ylphosphane.

Molecular Properties

Compound Name1,3-oxazol-5-ylphosphane
PubChem CID143976515
Molecular FormulaC3H4NOP
Molecular Weight101.04 g/mol
Exact Mass101.00
IUPAC Name1,3-oxazol-5-ylphosphane
SMILESPc1cnco1
InChIInChI=1S/C3H4NOP/c6-3-1-4-2-5-3/h1-2H,6H2
InChIKeyBUERCWWVIPSDSL-UHFFFAOYSA-N
XLogP0.17
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.04
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-oxazol-5-ylphosphane?
The IUPAC name of 1,3-oxazol-5-ylphosphane (CID 143976515) is 1,3-oxazol-5-ylphosphane.
What is the SMILES notation for 1,3-oxazol-5-ylphosphane?
The canonical SMILES for 1,3-oxazol-5-ylphosphane is Pc1cnco1.
What is the InChIKey of 1,3-oxazol-5-ylphosphane?
The InChIKey is BUERCWWVIPSDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4NOP/c6-3-1-4-2-5-3/h1-2H,6H2.
What are the key properties of 1,3-oxazol-5-ylphosphane?
1,3-oxazol-5-ylphosphane has a molecular weight of 101.04 g/mol, XLogP of 0.17, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-oxazol-5-ylphosphane is sourced from PubChem (CID 143976515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).