4,5-dihydro-1,3-oxazole;zinc

C3H5NOZn — CID 66738983

IUPAC4,5-dihydro-1,3-oxazole;zinc
SMILESC1=NCCO1.[Zn]
InChIInChI=1S/C3H5NO.Zn/c1-2-5-3-4-1;/h3H,1-2H2;
InChIKeyQXVWXKGGRMFBKI-UHFFFAOYSA-N
MW136.47 g/mol
LogP0.04
Rot. Bonds

About 4,5-dihydro-1,3-oxazole;zinc

4,5-dihydro-1,3-oxazole;zinc (PubChem CID 66738983) has the molecular formula C3H5NOZn and a molecular weight of 136.47 g/mol. Its IUPAC name is 4,5-dihydro-1,3-oxazole;zinc.

Molecular Properties

Compound Name4,5-dihydro-1,3-oxazole;zinc
PubChem CID66738983
Molecular FormulaC3H5NOZn
Molecular Weight136.47 g/mol
Exact Mass134.97
IUPAC Name4,5-dihydro-1,3-oxazole;zinc
SMILESC1=NCCO1.[Zn]
InChIInChI=1S/C3H5NO.Zn/c1-2-5-3-4-1;/h3H,1-2H2;
InChIKeyQXVWXKGGRMFBKI-UHFFFAOYSA-N
XLogP0.04
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.47
LogP ≤ 50.04
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 4,5-dihydro-1,3-oxazole;zinc?
The IUPAC name of 4,5-dihydro-1,3-oxazole;zinc (CID 66738983) is 4,5-dihydro-1,3-oxazole;zinc.
What is the SMILES notation for 4,5-dihydro-1,3-oxazole;zinc?
The canonical SMILES for 4,5-dihydro-1,3-oxazole;zinc is C1=NCCO1.[Zn].
What is the InChIKey of 4,5-dihydro-1,3-oxazole;zinc?
The InChIKey is QXVWXKGGRMFBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NO.Zn/c1-2-5-3-4-1;/h3H,1-2H2;.
What are the key properties of 4,5-dihydro-1,3-oxazole;zinc?
4,5-dihydro-1,3-oxazole;zinc has a molecular weight of 136.47 g/mol, XLogP of 0.04, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1,3-oxazole;zinc is sourced from PubChem (CID 66738983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).