1-(3,4-dimethoxyphenyl)-3-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]urea

C26H25N3O4 — CID 46392853

About 1-(3,4-dimethoxyphenyl)-3-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]urea

1-(3,4-dimethoxyphenyl)-3-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]urea (PubChem CID 46392853) has the molecular formula C26H25N3O4 and a molecular weight of 443.50 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-3-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]urea.

Molecular Properties

• Compound Name: 1-(3,4-dimethoxyphenyl)-3-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]urea
• PubChem CID: 46392853
• Molecular Formula: C26H25N3O4
• Molecular Weight: 443.50 g/mol
• Exact Mass: 443.18
• IUPAC Name: 1-(3,4-dimethoxyphenyl)-3-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]urea
• SMILES: COc1ccc(NC(=O)Nc2ccc(-c3nc(-c4ccc(C)cc4C)co3)cc2)cc1OC
• InChI: InChI=1S/C26H25N3O4/c1-16-5-11-21(17(2)13-16)22-15-33-25(29-22)18-6-8-19(9-7-18)27-26(30)28-20-10-12-23(31-3)24(14-20)32-4/h5-15H,1-4H3,(H2,27,28,30)
• InChIKey: ZCANYWQAQJSSDX-UHFFFAOYSA-N
• XLogP: 6.29
• TPSA: 85.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	443.50
LogP ≤ 5	6.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-3-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]urea?

The IUPAC name of 1-(3,4-dimethoxyphenyl)-3-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]urea (CID 46392853) is 1-(3,4-dimethoxyphenyl)-3-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]urea.

What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-3-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]urea?

The canonical SMILES for 1-(3,4-dimethoxyphenyl)-3-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]urea is COc1ccc(NC(=O)Nc2ccc(-c3nc(-c4ccc(C)cc4C)co3)cc2)cc1OC.

What is the InChIKey of 1-(3,4-dimethoxyphenyl)-3-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]urea?

The InChIKey is ZCANYWQAQJSSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O4/c1-16-5-11-21(17(2)13-16)22-15-33-25(29-22)18-6-8-19(9-7-18)27-26(30)28-20-10-12-23(31-3)24(14-20)32-4/h5-15H,1-4H3,(H2,27,28,30).

What are the key properties of 1-(3,4-dimethoxyphenyl)-3-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]urea?

1-(3,4-dimethoxyphenyl)-3-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]urea has a molecular weight of 443.50 g/mol, XLogP of 6.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3,4-dimethoxyphenyl)-3-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]urea is sourced from PubChem (CID 46392853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).