N-methyl-1-[5-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-2-yl]ethanamine

C₁₃H₁₈N₂O₂ — CID 65181435

About N-methyl-1-[5-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-2-yl]ethanamine

N-methyl-1-[5-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-2-yl]ethanamine (PubChem CID 65181435) has the molecular formula C₁₃H₁₈N₂O₂ and a molecular weight of 234.30 g/mol. Its IUPAC name is N-methyl-1-[5-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-2-yl]ethanamine.

Molecular Properties

• Compound Name: N-methyl-1-[5-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-2-yl]ethanamine
• PubChem CID: 65181435
• Molecular Formula: C₁₃H₁₈N₂O₂
• Molecular Weight: 234.30 g/mol
• Exact Mass: 234.14
• IUPAC Name: N-methyl-1-[5-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-2-yl]ethanamine
• SMILES: CNC(C)c1ncc(-c2c(C)oc(C)c2C)o1
• InChI: InChI=1S/C13H18N2O2/c1-7-9(3)16-10(4)12(7)11-6-15-13(17-11)8(2)14-5/h6,8,14H,1-5H3
• InChIKey: HNQRTWIUOHVESU-UHFFFAOYSA-N
• XLogP: 3.14
• TPSA: 51.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	234.30
LogP ≤ 5	3.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-2-yl]ethanamine?

The IUPAC name of N-methyl-1-[5-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-2-yl]ethanamine (CID 65181435) is N-methyl-1-[5-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-2-yl]ethanamine.

What is the SMILES notation for N-methyl-1-[5-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-2-yl]ethanamine?

The canonical SMILES for N-methyl-1-[5-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-2-yl]ethanamine is CNC(C)c1ncc(-c2c(C)oc(C)c2C)o1.

What is the InChIKey of N-methyl-1-[5-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-2-yl]ethanamine?

The InChIKey is HNQRTWIUOHVESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-7-9(3)16-10(4)12(7)11-6-15-13(17-11)8(2)14-5/h6,8,14H,1-5H3.

What are the key properties of N-methyl-1-[5-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-2-yl]ethanamine?

N-methyl-1-[5-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-2-yl]ethanamine has a molecular weight of 234.30 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-1-[5-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-2-yl]ethanamine is sourced from PubChem (CID 65181435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 65181435 — identifiers, structure, computed properties (public domain)

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