5-amino-2-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1,3-oxazole-4-carbonitrile

C₉H₈N₄O₃ — CID 66155821

About 5-amino-2-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1,3-oxazole-4-carbonitrile

5-amino-2-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1,3-oxazole-4-carbonitrile (PubChem CID 66155821) has the molecular formula C₉H₈N₄O₃ and a molecular weight of 220.19 g/mol. Its IUPAC name is 5-amino-2-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1,3-oxazole-4-carbonitrile.

Molecular Properties

• Compound Name: 5-amino-2-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1,3-oxazole-4-carbonitrile
• PubChem CID: 66155821
• Molecular Formula: C₉H₈N₄O₃
• Molecular Weight: 220.19 g/mol
• Exact Mass: 220.06
• IUPAC Name: 5-amino-2-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1,3-oxazole-4-carbonitrile
• SMILES: COCc1cc(-c2nc(C#N)c(N)o2)no1
• InChI: InChI=1S/C9H8N4O3/c1-14-4-5-2-6(13-16-5)9-12-7(3-10)8(11)15-9/h2H,4,11H2,1H3
• InChIKey: MMEUTJCSJQFKLQ-UHFFFAOYSA-N
• XLogP: 0.93
• TPSA: 111.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	220.19
LogP ≤ 5	0.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1,3-oxazole-4-carbonitrile?

The IUPAC name of 5-amino-2-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1,3-oxazole-4-carbonitrile (CID 66155821) is 5-amino-2-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1,3-oxazole-4-carbonitrile.

What is the SMILES notation for 5-amino-2-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1,3-oxazole-4-carbonitrile?

The canonical SMILES for 5-amino-2-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1,3-oxazole-4-carbonitrile is COCc1cc(-c2nc(C#N)c(N)o2)no1.

What is the InChIKey of 5-amino-2-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1,3-oxazole-4-carbonitrile?

The InChIKey is MMEUTJCSJQFKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O3/c1-14-4-5-2-6(13-16-5)9-12-7(3-10)8(11)15-9/h2H,4,11H2,1H3.

What are the key properties of 5-amino-2-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1,3-oxazole-4-carbonitrile?

5-amino-2-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1,3-oxazole-4-carbonitrile has a molecular weight of 220.19 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-2-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 66155821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 66155821 — identifiers, structure, computed properties (public domain)

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