bis(4,4-dimethyl-2-pyridin-2-yl-5H-1,3-oxazole);nickel

C20H24N4NiO2 — CID 134991135

IUPACbis(4,4-dimethyl-2-pyridin-2-yl-5H-1,3-oxazole);nickel
SMILESCC1(C)COC(c2ccccn2)=N1.CC1(C)COC(c2ccccn2)=N1.[Ni]
InChIInChI=1S/2C10H12N2O.Ni/c2*1-10(2)7-13-9(12-10)8-5-3-4-6-11-8;/h2*3-6H,7H2,1-2H3;
InChIKeyLCFAVOAXKGRWQB-UHFFFAOYSA-N
MW411.13 g/mol
LogP3.27
Rot. Bonds2

About bis(4,4-dimethyl-2-pyridin-2-yl-5H-1,3-oxazole);nickel

bis(4,4-dimethyl-2-pyridin-2-yl-5H-1,3-oxazole);nickel (PubChem CID 134991135) has the molecular formula C20H24N4NiO2 and a molecular weight of 411.13 g/mol. Its IUPAC name is bis(4,4-dimethyl-2-pyridin-2-yl-5H-1,3-oxazole);nickel.

Molecular Properties

Compound Namebis(4,4-dimethyl-2-pyridin-2-yl-5H-1,3-oxazole);nickel
PubChem CID134991135
Molecular FormulaC20H24N4NiO2
Molecular Weight411.13 g/mol
Exact Mass410.13
IUPAC Namebis(4,4-dimethyl-2-pyridin-2-yl-5H-1,3-oxazole);nickel
SMILESCC1(C)COC(c2ccccn2)=N1.CC1(C)COC(c2ccccn2)=N1.[Ni]
InChIInChI=1S/2C10H12N2O.Ni/c2*1-10(2)7-13-9(12-10)8-5-3-4-6-11-8;/h2*3-6H,7H2,1-2H3;
InChIKeyLCFAVOAXKGRWQB-UHFFFAOYSA-N
XLogP3.27
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.13
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of bis(4,4-dimethyl-2-pyridin-2-yl-5H-1,3-oxazole);nickel?
The IUPAC name of bis(4,4-dimethyl-2-pyridin-2-yl-5H-1,3-oxazole);nickel (CID 134991135) is bis(4,4-dimethyl-2-pyridin-2-yl-5H-1,3-oxazole);nickel.
What is the SMILES notation for bis(4,4-dimethyl-2-pyridin-2-yl-5H-1,3-oxazole);nickel?
The canonical SMILES for bis(4,4-dimethyl-2-pyridin-2-yl-5H-1,3-oxazole);nickel is CC1(C)COC(c2ccccn2)=N1.CC1(C)COC(c2ccccn2)=N1.[Ni].
What is the InChIKey of bis(4,4-dimethyl-2-pyridin-2-yl-5H-1,3-oxazole);nickel?
The InChIKey is LCFAVOAXKGRWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H12N2O.Ni/c2*1-10(2)7-13-9(12-10)8-5-3-4-6-11-8;/h2*3-6H,7H2,1-2H3;.
What are the key properties of bis(4,4-dimethyl-2-pyridin-2-yl-5H-1,3-oxazole);nickel?
bis(4,4-dimethyl-2-pyridin-2-yl-5H-1,3-oxazole);nickel has a molecular weight of 411.13 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4,4-dimethyl-2-pyridin-2-yl-5H-1,3-oxazole);nickel is sourced from PubChem (CID 134991135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).