iron(2+);4-(methoxymethyl)-2-[6-[4-(methoxymethyl)-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole;dichloride

C15H19Cl2FeN3O4 — CID 70014009

IUPACiron(2+);4-(methoxymethyl)-2-[6-[4-(methoxymethyl)-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole;dichloride
SMILESCOCC1COC(c2cccc(C3=NC(COC)CO3)n2)=N1.[Cl-].[Cl-].[Fe+2]
InChIInChI=1S/C15H19N3O4.2ClH.Fe/c1-19-6-10-8-21-14(16-10)12-4-3-5-13(18-12)15-17-11(7-20-2)9-22-15;;;/h3-5,10-11H,6-9H2,1-2H3;2*1H;/q;;;+2/p-2
InChIKeyNQGPTJGLYGBRHI-UHFFFAOYSA-L
MW432.09 g/mol
LogP-5.33
Rot. Bonds6

About iron(2+);4-(methoxymethyl)-2-[6-[4-(methoxymethyl)-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole;dichloride

iron(2+);4-(methoxymethyl)-2-[6-[4-(methoxymethyl)-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole;dichloride (PubChem CID 70014009) has the molecular formula C15H19Cl2FeN3O4 and a molecular weight of 432.09 g/mol. Its IUPAC name is iron(2+);4-(methoxymethyl)-2-[6-[4-(methoxymethyl)-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole;dichloride.

Molecular Properties

Compound Nameiron(2+);4-(methoxymethyl)-2-[6-[4-(methoxymethyl)-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole;dichloride
PubChem CID70014009
Molecular FormulaC15H19Cl2FeN3O4
Molecular Weight432.09 g/mol
Exact Mass431.01
IUPAC Nameiron(2+);4-(methoxymethyl)-2-[6-[4-(methoxymethyl)-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole;dichloride
SMILESCOCC1COC(c2cccc(C3=NC(COC)CO3)n2)=N1.[Cl-].[Cl-].[Fe+2]
InChIInChI=1S/C15H19N3O4.2ClH.Fe/c1-19-6-10-8-21-14(16-10)12-4-3-5-13(18-12)15-17-11(7-20-2)9-22-15;;;/h3-5,10-11H,6-9H2,1-2H3;2*1H;/q;;;+2/p-2
InChIKeyNQGPTJGLYGBRHI-UHFFFAOYSA-L
XLogP-5.33
TPSA74.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.09
LogP ≤ 5-5.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze iron(2+);4-(methoxymethyl)-2-[6-[4-(methoxymethyl)-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole;dichloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of iron(2+);4-(methoxymethyl)-2-[6-[4-(methoxymethyl)-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole;dichloride?
The IUPAC name of iron(2+);4-(methoxymethyl)-2-[6-[4-(methoxymethyl)-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole;dichloride (CID 70014009) is iron(2+);4-(methoxymethyl)-2-[6-[4-(methoxymethyl)-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole;dichloride.
What is the SMILES notation for iron(2+);4-(methoxymethyl)-2-[6-[4-(methoxymethyl)-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole;dichloride?
The canonical SMILES for iron(2+);4-(methoxymethyl)-2-[6-[4-(methoxymethyl)-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole;dichloride is COCC1COC(c2cccc(C3=NC(COC)CO3)n2)=N1.[Cl-].[Cl-].[Fe+2].
What is the InChIKey of iron(2+);4-(methoxymethyl)-2-[6-[4-(methoxymethyl)-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole;dichloride?
The InChIKey is NQGPTJGLYGBRHI-UHFFFAOYSA-L. The full InChI is InChI=1S/C15H19N3O4.2ClH.Fe/c1-19-6-10-8-21-14(16-10)12-4-3-5-13(18-12)15-17-11(7-20-2)9-22-15;;;/h3-5,10-11H,6-9H2,1-2H3;2*1H;/q;;;+2/p-2.
What are the key properties of iron(2+);4-(methoxymethyl)-2-[6-[4-(methoxymethyl)-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole;dichloride?
iron(2+);4-(methoxymethyl)-2-[6-[4-(methoxymethyl)-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole;dichloride has a molecular weight of 432.09 g/mol, XLogP of -5.33, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for iron(2+);4-(methoxymethyl)-2-[6-[4-(methoxymethyl)-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole;dichloride is sourced from PubChem (CID 70014009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).