N-(4-chloro-2,5-dimethoxyphenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide

C25H21ClN2O5 — CID 100503547

About N-(4-chloro-2,5-dimethoxyphenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide

N-(4-chloro-2,5-dimethoxyphenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide (PubChem CID 100503547) has the molecular formula C25H21ClN2O5 and a molecular weight of 464.91 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide.

Molecular Properties

• Compound Name: N-(4-chloro-2,5-dimethoxyphenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
• PubChem CID: 100503547
• Molecular Formula: C25H21ClN2O5
• Molecular Weight: 464.91 g/mol
• Exact Mass: 464.11
• IUPAC Name: N-(4-chloro-2,5-dimethoxyphenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
• SMILES: COc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3cc(OC)c(Cl)cc3OC)o2)cc1
• InChI: InChI=1S/C25H21ClN2O5/c1-30-16-10-8-15(9-11-16)23-14-27-25(33-23)18-7-5-4-6-17(18)24(29)28-20-13-21(31-2)19(26)12-22(20)32-3/h4-14H,1-3H3,(H,28,29)
• InChIKey: HAJCNEFMYTTYHU-UHFFFAOYSA-N
• XLogP: 5.94
• TPSA: 82.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	464.91
LogP ≤ 5	5.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide?

The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide (CID 100503547) is N-(4-chloro-2,5-dimethoxyphenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide.

What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide?

The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide is COc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3cc(OC)c(Cl)cc3OC)o2)cc1.

What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide?

The InChIKey is HAJCNEFMYTTYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN2O5/c1-30-16-10-8-15(9-11-16)23-14-27-25(33-23)18-7-5-4-6-17(18)24(29)28-20-13-21(31-2)19(26)12-22(20)32-3/h4-14H,1-3H3,(H,28,29).

What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide?

N-(4-chloro-2,5-dimethoxyphenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide has a molecular weight of 464.91 g/mol, XLogP of 5.94, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-chloro-2,5-dimethoxyphenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide is sourced from PubChem (CID 100503547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).