N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-4-ethyl-1,3-oxazole-5-carboxamide

C₁₇H₁₈N₄O₂ — CID 166340631

About N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-4-ethyl-1,3-oxazole-5-carboxamide

N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-4-ethyl-1,3-oxazole-5-carboxamide (PubChem CID 166340631) has the molecular formula C₁₇H₁₈N₄O₂ and a molecular weight of 310.36 g/mol. Its IUPAC name is N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-4-ethyl-1,3-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-4-ethyl-1,3-oxazole-5-carboxamide
• PubChem CID: 166340631
• Molecular Formula: C₁₇H₁₈N₄O₂
• Molecular Weight: 310.36 g/mol
• Exact Mass: 310.14
• IUPAC Name: N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-4-ethyl-1,3-oxazole-5-carboxamide
• SMILES: CCc1ncoc1C(=O)Nc1ccc(-n2cnc(C)c2C)cc1
• InChI: InChI=1S/C17H18N4O2/c1-4-15-16(23-10-19-15)17(22)20-13-5-7-14(8-6-13)21-9-18-11(2)12(21)3/h5-10H,4H2,1-3H3,(H,20,22)
• InChIKey: BSULTOLCCQGVKX-UHFFFAOYSA-N
• XLogP: 3.29
• TPSA: 72.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	310.36
LogP ≤ 5	3.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-4-ethyl-1,3-oxazole-5-carboxamide?

The IUPAC name of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-4-ethyl-1,3-oxazole-5-carboxamide (CID 166340631) is N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-4-ethyl-1,3-oxazole-5-carboxamide.

What is the SMILES notation for N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-4-ethyl-1,3-oxazole-5-carboxamide?

The canonical SMILES for N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-4-ethyl-1,3-oxazole-5-carboxamide is CCc1ncoc1C(=O)Nc1ccc(-n2cnc(C)c2C)cc1.

What is the InChIKey of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-4-ethyl-1,3-oxazole-5-carboxamide?

The InChIKey is BSULTOLCCQGVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-4-15-16(23-10-19-15)17(22)20-13-5-7-14(8-6-13)21-9-18-11(2)12(21)3/h5-10H,4H2,1-3H3,(H,20,22).

What are the key properties of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-4-ethyl-1,3-oxazole-5-carboxamide?

N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-4-ethyl-1,3-oxazole-5-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-4-ethyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 166340631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 166340631 — identifiers, structure, computed properties (public domain)

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