4-[(2,6-dimethylphenoxy)methyl]-5-methyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-1,2-oxazole-3-carboxamide

C28H26N4O3 — CID 19486114

About 4-[(2,6-dimethylphenoxy)methyl]-5-methyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-1,2-oxazole-3-carboxamide

4-[(2,6-dimethylphenoxy)methyl]-5-methyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-1,2-oxazole-3-carboxamide (PubChem CID 19486114) has the molecular formula C28H26N4O3 and a molecular weight of 466.54 g/mol. Its IUPAC name is 4-[(2,6-dimethylphenoxy)methyl]-5-methyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 4-[(2,6-dimethylphenoxy)methyl]-5-methyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-1,2-oxazole-3-carboxamide
• PubChem CID: 19486114
• Molecular Formula: C28H26N4O3
• Molecular Weight: 466.54 g/mol
• Exact Mass: 466.20
• IUPAC Name: 4-[(2,6-dimethylphenoxy)methyl]-5-methyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-1,2-oxazole-3-carboxamide
• SMILES: Cc1cccc(C)c1OCc1c(C(=O)Nc2cnn(Cc3cccc4ccccc34)c2)noc1C
• InChI: InChI=1S/C28H26N4O3/c1-18-8-6-9-19(2)27(18)34-17-25-20(3)35-31-26(25)28(33)30-23-14-29-32(16-23)15-22-12-7-11-21-10-4-5-13-24(21)22/h4-14,16H,15,17H2,1-3H3,(H,30,33)
• InChIKey: XWBQPAKOAHKDNJ-UHFFFAOYSA-N
• XLogP: 5.83
• TPSA: 82.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	466.54
LogP ≤ 5	5.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dimethylphenoxy)methyl]-5-methyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-1,2-oxazole-3-carboxamide?

The IUPAC name of 4-[(2,6-dimethylphenoxy)methyl]-5-methyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-1,2-oxazole-3-carboxamide (CID 19486114) is 4-[(2,6-dimethylphenoxy)methyl]-5-methyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-1,2-oxazole-3-carboxamide.

What is the SMILES notation for 4-[(2,6-dimethylphenoxy)methyl]-5-methyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-1,2-oxazole-3-carboxamide?

The canonical SMILES for 4-[(2,6-dimethylphenoxy)methyl]-5-methyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-1,2-oxazole-3-carboxamide is Cc1cccc(C)c1OCc1c(C(=O)Nc2cnn(Cc3cccc4ccccc34)c2)noc1C.

What is the InChIKey of 4-[(2,6-dimethylphenoxy)methyl]-5-methyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-1,2-oxazole-3-carboxamide?

The InChIKey is XWBQPAKOAHKDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O3/c1-18-8-6-9-19(2)27(18)34-17-25-20(3)35-31-26(25)28(33)30-23-14-29-32(16-23)15-22-12-7-11-21-10-4-5-13-24(21)22/h4-14,16H,15,17H2,1-3H3,(H,30,33).

What are the key properties of 4-[(2,6-dimethylphenoxy)methyl]-5-methyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-1,2-oxazole-3-carboxamide?

4-[(2,6-dimethylphenoxy)methyl]-5-methyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 466.54 g/mol, XLogP of 5.83, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(2,6-dimethylphenoxy)methyl]-5-methyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19486114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).