4-[(3,5-dimethylphenoxy)methyl]-5-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide

C26H25N3O3 — CID 19444450

About 4-[(3,5-dimethylphenoxy)methyl]-5-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide

4-[(3,5-dimethylphenoxy)methyl]-5-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide (PubChem CID 19444450) has the molecular formula C26H25N3O3 and a molecular weight of 427.50 g/mol. Its IUPAC name is 4-[(3,5-dimethylphenoxy)methyl]-5-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 4-[(3,5-dimethylphenoxy)methyl]-5-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide
• PubChem CID: 19444450
• Molecular Formula: C26H25N3O3
• Molecular Weight: 427.50 g/mol
• Exact Mass: 427.19
• IUPAC Name: 4-[(3,5-dimethylphenoxy)methyl]-5-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide
• SMILES: Cc1cc(C)cc(OCc2c(C(=O)Nc3ccc(Cc4ccncc4)cc3)noc2C)c1
• InChI: InChI=1S/C26H25N3O3/c1-17-12-18(2)14-23(13-17)31-16-24-19(3)32-29-25(24)26(30)28-22-6-4-20(5-7-22)15-21-8-10-27-11-9-21/h4-14H,15-16H2,1-3H3,(H,28,30)
• InChIKey: OJDGAHCHBGRQKI-UHFFFAOYSA-N
• XLogP: 5.42
• TPSA: 77.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	427.50
LogP ≤ 5	5.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 4-[(3,5-dimethylphenoxy)methyl]-5-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide (CID 19444450) is 4-[(3,5-dimethylphenoxy)methyl]-5-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide.

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

The canonical SMILES for 4-[(3,5-dimethylphenoxy)methyl]-5-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide is Cc1cc(C)cc(OCc2c(C(=O)Nc3ccc(Cc4ccncc4)cc3)noc2C)c1.

What is the InChIKey of 4-[(3,5-dimethylphenoxy)methyl]-5-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide?

The InChIKey is OJDGAHCHBGRQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3/c1-17-12-18(2)14-23(13-17)31-16-24-19(3)32-29-25(24)26(30)28-22-6-4-20(5-7-22)15-21-8-10-27-11-9-21/h4-14H,15-16H2,1-3H3,(H,28,30).

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

4-[(3,5-dimethylphenoxy)methyl]-5-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide has a molecular weight of 427.50 g/mol, XLogP of 5.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(3,5-dimethylphenoxy)methyl]-5-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19444450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).