N-(5-chloro-2-morpholin-4-ylphenyl)-3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]propanamide

C24H26ClN3O3 — CID 16594353

About N-(5-chloro-2-morpholin-4-ylphenyl)-3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]propanamide

N-(5-chloro-2-morpholin-4-ylphenyl)-3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]propanamide (PubChem CID 16594353) has the molecular formula C24H26ClN3O3 and a molecular weight of 439.94 g/mol. Its IUPAC name is N-(5-chloro-2-morpholin-4-ylphenyl)-3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]propanamide.

Molecular Properties

• Compound Name: N-(5-chloro-2-morpholin-4-ylphenyl)-3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]propanamide
• PubChem CID: 16594353
• Molecular Formula: C24H26ClN3O3
• Molecular Weight: 439.94 g/mol
• Exact Mass: 439.17
• IUPAC Name: N-(5-chloro-2-morpholin-4-ylphenyl)-3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]propanamide
• SMILES: Cc1ccc(-c2cnc(CCC(=O)Nc3cc(Cl)ccc3N3CCOCC3)o2)cc1C
• InChI: InChI=1S/C24H26ClN3O3/c1-16-3-4-18(13-17(16)2)22-15-26-24(31-22)8-7-23(29)27-20-14-19(25)5-6-21(20)28-9-11-30-12-10-28/h3-6,13-15H,7-12H2,1-2H3,(H,27,29)
• InChIKey: QGARLNASFNXXQQ-UHFFFAOYSA-N
• XLogP: 5.02
• TPSA: 67.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	439.94
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-morpholin-4-ylphenyl)-3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]propanamide?

The IUPAC name of N-(5-chloro-2-morpholin-4-ylphenyl)-3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]propanamide (CID 16594353) is N-(5-chloro-2-morpholin-4-ylphenyl)-3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]propanamide.

What is the SMILES notation for N-(5-chloro-2-morpholin-4-ylphenyl)-3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]propanamide?

The canonical SMILES for N-(5-chloro-2-morpholin-4-ylphenyl)-3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]propanamide is Cc1ccc(-c2cnc(CCC(=O)Nc3cc(Cl)ccc3N3CCOCC3)o2)cc1C.

What is the InChIKey of N-(5-chloro-2-morpholin-4-ylphenyl)-3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]propanamide?

The InChIKey is QGARLNASFNXXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O3/c1-16-3-4-18(13-17(16)2)22-15-26-24(31-22)8-7-23(29)27-20-14-19(25)5-6-21(20)28-9-11-30-12-10-28/h3-6,13-15H,7-12H2,1-2H3,(H,27,29).

What are the key properties of N-(5-chloro-2-morpholin-4-ylphenyl)-3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]propanamide?

N-(5-chloro-2-morpholin-4-ylphenyl)-3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]propanamide has a molecular weight of 439.94 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-chloro-2-morpholin-4-ylphenyl)-3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]propanamide is sourced from PubChem (CID 16594353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).