3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide

C20H14Cl2N4O2S — CID 42188194

About 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide

3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide (PubChem CID 42188194) has the molecular formula C20H14Cl2N4O2S and a molecular weight of 445.33 g/mol. Its IUPAC name is 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

• Compound Name: 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
• PubChem CID: 42188194
• Molecular Formula: C20H14Cl2N4O2S
• Molecular Weight: 445.33 g/mol
• Exact Mass: 444.02
• IUPAC Name: 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
• SMILES: O=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)Nc1nc(-c2ccccn2)cs1
• InChI: InChI=1S/C20H14Cl2N4O2S/c21-12-4-5-13(14(22)9-12)17-10-24-19(28-17)7-6-18(27)26-20-25-16(11-29-20)15-3-1-2-8-23-15/h1-5,8-11H,6-7H2,(H,25,26,27)
• InChIKey: RHUJRCCUDJDVBL-UHFFFAOYSA-N
• XLogP: 5.74
• TPSA: 80.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	445.33
LogP ≤ 5	5.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide?

The IUPAC name of 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide (CID 42188194) is 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide.

What is the SMILES notation for 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide?

The canonical SMILES for 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide is O=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)Nc1nc(-c2ccccn2)cs1.

What is the InChIKey of 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide?

The InChIKey is RHUJRCCUDJDVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2N4O2S/c21-12-4-5-13(14(22)9-12)17-10-24-19(28-17)7-6-18(27)26-20-25-16(11-29-20)15-3-1-2-8-23-15/h1-5,8-11H,6-7H2,(H,25,26,27).

What are the key properties of 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide?

3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide has a molecular weight of 445.33 g/mol, XLogP of 5.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 42188194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).