3-benzhydryl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1,2-oxazole-5-carboxamide

C23H22N4O2 — CID 42169778

About 3-benzhydryl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1,2-oxazole-5-carboxamide

3-benzhydryl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1,2-oxazole-5-carboxamide (PubChem CID 42169778) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is 3-benzhydryl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: 3-benzhydryl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1,2-oxazole-5-carboxamide
• PubChem CID: 42169778
• Molecular Formula: C23H22N4O2
• Molecular Weight: 386.46 g/mol
• Exact Mass: 386.17
• IUPAC Name: 3-benzhydryl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1,2-oxazole-5-carboxamide
• SMILES: CN(Cc1nccn1C)C(=O)c1cc(C(c2ccccc2)c2ccccc2)no1
• InChI: InChI=1S/C23H22N4O2/c1-26-14-13-24-21(26)16-27(2)23(28)20-15-19(25-29-20)22(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-15,22H,16H2,1-2H3
• InChIKey: UWFYVSRMIHJROC-UHFFFAOYSA-N
• XLogP: 3.86
• TPSA: 64.16 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.46
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-benzhydryl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1,2-oxazole-5-carboxamide?

The IUPAC name of 3-benzhydryl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1,2-oxazole-5-carboxamide (CID 42169778) is 3-benzhydryl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1,2-oxazole-5-carboxamide.

What is the SMILES notation for 3-benzhydryl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1,2-oxazole-5-carboxamide?

The canonical SMILES for 3-benzhydryl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1,2-oxazole-5-carboxamide is CN(Cc1nccn1C)C(=O)c1cc(C(c2ccccc2)c2ccccc2)no1.

What is the InChIKey of 3-benzhydryl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1,2-oxazole-5-carboxamide?

The InChIKey is UWFYVSRMIHJROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-26-14-13-24-21(26)16-27(2)23(28)20-15-19(25-29-20)22(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-15,22H,16H2,1-2H3.

What are the key properties of 3-benzhydryl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1,2-oxazole-5-carboxamide?

3-benzhydryl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1,2-oxazole-5-carboxamide has a molecular weight of 386.46 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-benzhydryl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 42169778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).