2,5-dihydro-1,3-oxazol-4-ylalumane

C3H6AlNO — CID 163600809

IUPAC2,5-dihydro-1,3-oxazol-4-ylalumane
SMILES[AlH2]C1=NCOC1
InChIInChI=1S/C3H4NO.Al.2H/c1-2-5-3-4-1;;;/h2-3H2;;;
InChIKeyGXMDGRUFNQBRPZ-UHFFFAOYSA-N
MW99.07 g/mol
LogP-0.99
Rot. Bonds

About 2,5-dihydro-1,3-oxazol-4-ylalumane

2,5-dihydro-1,3-oxazol-4-ylalumane (PubChem CID 163600809) has the molecular formula C3H6AlNO and a molecular weight of 99.07 g/mol. Its IUPAC name is 2,5-dihydro-1,3-oxazol-4-ylalumane.

Molecular Properties

Compound Name2,5-dihydro-1,3-oxazol-4-ylalumane
PubChem CID163600809
Molecular FormulaC3H6AlNO
Molecular Weight99.07 g/mol
Exact Mass99.03
IUPAC Name2,5-dihydro-1,3-oxazol-4-ylalumane
SMILES[AlH2]C1=NCOC1
InChIInChI=1S/C3H4NO.Al.2H/c1-2-5-3-4-1;;;/h2-3H2;;;
InChIKeyGXMDGRUFNQBRPZ-UHFFFAOYSA-N
XLogP-0.99
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.07
LogP ≤ 5-0.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dihydro-1,3-oxazol-4-ylalumane?
The IUPAC name of 2,5-dihydro-1,3-oxazol-4-ylalumane (CID 163600809) is 2,5-dihydro-1,3-oxazol-4-ylalumane.
What is the SMILES notation for 2,5-dihydro-1,3-oxazol-4-ylalumane?
The canonical SMILES for 2,5-dihydro-1,3-oxazol-4-ylalumane is [AlH2]C1=NCOC1.
What is the InChIKey of 2,5-dihydro-1,3-oxazol-4-ylalumane?
The InChIKey is GXMDGRUFNQBRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4NO.Al.2H/c1-2-5-3-4-1;;;/h2-3H2;;;.
What are the key properties of 2,5-dihydro-1,3-oxazol-4-ylalumane?
2,5-dihydro-1,3-oxazol-4-ylalumane has a molecular weight of 99.07 g/mol, XLogP of -0.99, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydro-1,3-oxazol-4-ylalumane is sourced from PubChem (CID 163600809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).