bis(4,5-dihydro-1,3-oxazole);nickel

C6H10N2NiO2 — CID 159748472

IUPACbis(4,5-dihydro-1,3-oxazole);nickel
SMILESC1=NCCO1.C1=NCCO1.[Ni]
InChIInChI=1S/2C3H5NO.Ni/c2*1-2-5-3-4-1;/h2*3H,1-2H2;
InChIKeyNDIUGZNQHQBITF-UHFFFAOYSA-N
MW200.85 g/mol
LogP0.09
Rot. Bonds

About bis(4,5-dihydro-1,3-oxazole);nickel

bis(4,5-dihydro-1,3-oxazole);nickel (PubChem CID 159748472) has the molecular formula C6H10N2NiO2 and a molecular weight of 200.85 g/mol. Its IUPAC name is bis(4,5-dihydro-1,3-oxazole);nickel.

Molecular Properties

Compound Namebis(4,5-dihydro-1,3-oxazole);nickel
PubChem CID159748472
Molecular FormulaC6H10N2NiO2
Molecular Weight200.85 g/mol
Exact Mass200.01
IUPAC Namebis(4,5-dihydro-1,3-oxazole);nickel
SMILESC1=NCCO1.C1=NCCO1.[Ni]
InChIInChI=1S/2C3H5NO.Ni/c2*1-2-5-3-4-1;/h2*3H,1-2H2;
InChIKeyNDIUGZNQHQBITF-UHFFFAOYSA-N
XLogP0.09
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.85
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of bis(4,5-dihydro-1,3-oxazole);nickel?
The IUPAC name of bis(4,5-dihydro-1,3-oxazole);nickel (CID 159748472) is bis(4,5-dihydro-1,3-oxazole);nickel.
What is the SMILES notation for bis(4,5-dihydro-1,3-oxazole);nickel?
The canonical SMILES for bis(4,5-dihydro-1,3-oxazole);nickel is C1=NCCO1.C1=NCCO1.[Ni].
What is the InChIKey of bis(4,5-dihydro-1,3-oxazole);nickel?
The InChIKey is NDIUGZNQHQBITF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H5NO.Ni/c2*1-2-5-3-4-1;/h2*3H,1-2H2;.
What are the key properties of bis(4,5-dihydro-1,3-oxazole);nickel?
bis(4,5-dihydro-1,3-oxazole);nickel has a molecular weight of 200.85 g/mol, XLogP of 0.09, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4,5-dihydro-1,3-oxazole);nickel is sourced from PubChem (CID 159748472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).